Calcium in PDB 3v4p: Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
Protein crystallography data
The structure of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1, PDB code: 3v4p
was solved by
Y.Yu,
J.Zhu,
T.A.Springer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
46.13 /
3.15
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
137.780,
122.740,
158.140,
90.00,
115.38,
90.00
|
|
R / Rfree (%)
|
22 /
25.1
|
Other elements in 3v4p:
The structure of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
(pdb code 3v4p). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1, PDB code: 3v4p:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 1 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca601
b:81.3
occ:1.00
|
OD1
|
A:ASP285
|
2.9
|
0.3
|
1.0
|
|
O
|
A:PHE287
|
3.1
|
0.4
|
1.0
|
|
O
|
A:HOH701
|
3.1
|
71.4
|
1.0
|
|
OD1
|
A:ASN283
|
3.1
|
71.8
|
1.0
|
|
OD1
|
A:ASP289
|
3.1
|
89.8
|
1.0
|
|
CG
|
A:ASP289
|
3.2
|
74.2
|
1.0
|
|
OD1
|
A:ASP281
|
3.3
|
71.6
|
1.0
|
|
OD2
|
A:ASP289
|
3.3
|
0.5
|
1.0
|
|
N
|
A:ASP289
|
3.3
|
57.2
|
1.0
|
|
C
|
A:PHE287
|
3.4
|
88.9
|
1.0
|
|
C
|
A:SER288
|
3.6
|
65.4
|
1.0
|
|
CA
|
A:SER288
|
3.6
|
79.7
|
1.0
|
|
N
|
A:SER288
|
3.7
|
88.3
|
1.0
|
|
CA
|
A:ASP281
|
3.9
|
65.0
|
1.0
|
|
CG
|
A:ASP285
|
4.0
|
0.8
|
1.0
|
|
CG
|
A:ASP281
|
4.0
|
0.5
|
1.0
|
|
CB
|
A:ASP289
|
4.1
|
76.1
|
1.0
|
|
CA
|
A:ASP289
|
4.1
|
82.5
|
1.0
|
|
CB
|
A:ASP281
|
4.1
|
86.1
|
1.0
|
|
CG
|
A:ASN283
|
4.2
|
0.2
|
1.0
|
|
N
|
A:LEU282
|
4.2
|
70.5
|
1.0
|
|
OD2
|
A:ASP285
|
4.2
|
97.6
|
1.0
|
|
O
|
A:ASP285
|
4.3
|
97.6
|
1.0
|
|
CA
|
A:PHE287
|
4.3
|
0.7
|
1.0
|
|
CB
|
A:PHE287
|
4.4
|
83.9
|
1.0
|
|
O
|
A:SER288
|
4.4
|
72.9
|
1.0
|
|
CB
|
A:ASN311
|
4.4
|
0.3
|
1.0
|
|
C
|
A:ASP281
|
4.5
|
0.1
|
1.0
|
|
ND2
|
A:ASN283
|
4.6
|
1.0
|
1.0
|
|
O
|
A:VAL280
|
4.6
|
95.9
|
1.0
|
|
N
|
A:ASN283
|
4.7
|
92.5
|
1.0
|
|
N
|
A:ASN311
|
4.8
|
0.8
|
1.0
|
|
N
|
A:PHE287
|
4.8
|
0.3
|
1.0
|
|
O
|
A:ASN311
|
4.8
|
0.5
|
1.0
|
|
N
|
A:ASP281
|
5.0
|
92.6
|
1.0
|
|
Calcium binding site 2 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 2 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca602
b:78.5
occ:1.00
|
O
|
A:PHE350
|
2.8
|
0.6
|
1.0
|
|
OD1
|
A:ASP352
|
2.8
|
96.1
|
1.0
|
|
OD1
|
A:ASP346
|
2.9
|
58.6
|
1.0
|
|
OD1
|
A:ASP348
|
3.0
|
0.1
|
1.0
|
|
OD2
|
A:ASP352
|
3.1
|
93.6
|
1.0
|
|
O
|
A:HOH702
|
3.1
|
95.1
|
1.0
|
|
OD1
|
A:ASP344
|
3.2
|
80.8
|
1.0
|
|
CG
|
A:ASP348
|
3.2
|
0.4
|
1.0
|
|
CG
|
A:ASP352
|
3.3
|
0.7
|
1.0
|
|
OD2
|
A:ASP348
|
3.4
|
0.8
|
1.0
|
|
C
|
A:PHE350
|
3.6
|
0.6
|
1.0
|
|
N
|
A:PHE350
|
3.7
|
0.9
|
1.0
|
|
CG
|
A:ASP346
|
4.0
|
0.7
|
1.0
|
|
CA
|
A:PHE350
|
4.0
|
0.5
|
1.0
|
|
CB
|
A:PHE350
|
4.0
|
80.8
|
1.0
|
|
ND2
|
A:ASN371
|
4.0
|
0.7
|
1.0
|
|
CG
|
A:ASP344
|
4.1
|
0.2
|
1.0
|
|
CB
|
A:ASP348
|
4.1
|
0.5
|
1.0
|
|
N
|
A:ASP348
|
4.2
|
97.6
|
1.0
|
|
OD2
|
A:ASP346
|
4.3
|
75.3
|
1.0
|
|
O
|
A:GLY372
|
4.4
|
0.7
|
1.0
|
|
N
|
A:GLY372
|
4.5
|
93.6
|
1.0
|
|
N
|
A:GLY349
|
4.5
|
78.5
|
1.0
|
|
CA
|
A:ASP348
|
4.6
|
97.3
|
1.0
|
|
N
|
A:GLU351
|
4.6
|
0.1
|
1.0
|
|
CB
|
A:ASP352
|
4.7
|
74.4
|
1.0
|
|
C
|
A:GLU351
|
4.8
|
91.7
|
1.0
|
|
CB
|
A:ASN371
|
4.8
|
97.7
|
1.0
|
|
OD2
|
A:ASP344
|
4.8
|
89.0
|
1.0
|
|
N
|
A:ASN347
|
4.9
|
0.2
|
1.0
|
|
C
|
A:ASP348
|
4.9
|
0.5
|
1.0
|
|
C
|
A:GLY349
|
4.9
|
58.7
|
1.0
|
|
N
|
A:ASP352
|
4.9
|
78.0
|
1.0
|
|
CA
|
A:ASP344
|
4.9
|
82.7
|
1.0
|
|
CG
|
A:ASN371
|
4.9
|
67.0
|
1.0
|
|
N
|
A:ASP346
|
4.9
|
0.7
|
1.0
|
|
CD2
|
A:PHE350
|
4.9
|
87.4
|
1.0
|
|
CG
|
A:PHE350
|
5.0
|
96.2
|
1.0
|
|
CA
|
A:GLU351
|
5.0
|
91.3
|
1.0
|
|
CB
|
A:ASP344
|
5.0
|
0.2
|
1.0
|
|
Calcium binding site 3 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 3 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca603
b:69.5
occ:1.00
|
O
|
A:TYR412
|
2.7
|
72.1
|
1.0
|
|
OD1
|
A:ASP408
|
2.7
|
67.5
|
1.0
|
|
OD1
|
A:ASN410
|
3.0
|
97.1
|
1.0
|
|
O
|
A:HOH704
|
3.0
|
0.9
|
1.0
|
|
OD1
|
A:ASP414
|
3.1
|
82.8
|
1.0
|
|
OD1
|
A:ASP406
|
3.1
|
64.9
|
1.0
|
|
OD2
|
A:ASP414
|
3.1
|
81.9
|
1.0
|
|
CG
|
A:ASN410
|
3.4
|
93.8
|
1.0
|
|
CG
|
A:ASP414
|
3.4
|
82.4
|
1.0
|
|
C
|
A:TYR412
|
3.6
|
67.9
|
1.0
|
|
N
|
A:TYR412
|
3.7
|
84.4
|
1.0
|
|
ND2
|
A:ASN410
|
3.8
|
0.1
|
1.0
|
|
CG
|
A:ASP408
|
3.8
|
0.7
|
1.0
|
|
N
|
A:ASN410
|
3.9
|
52.0
|
1.0
|
|
CA
|
A:TYR412
|
4.0
|
73.5
|
1.0
|
|
CG
|
A:ASP406
|
4.0
|
0.9
|
1.0
|
|
CB
|
A:TYR412
|
4.0
|
61.2
|
1.0
|
|
CB
|
A:ASN410
|
4.2
|
95.0
|
1.0
|
|
OD2
|
A:ASP408
|
4.2
|
0.3
|
1.0
|
|
OG1
|
A:THR430
|
4.2
|
91.6
|
1.0
|
|
CA
|
A:ASN410
|
4.4
|
0.5
|
1.0
|
|
N
|
A:GLY411
|
4.5
|
98.3
|
1.0
|
|
O
|
A:THR430
|
4.5
|
65.2
|
1.0
|
|
N
|
A:ASN409
|
4.6
|
87.3
|
1.0
|
|
N
|
A:ASP408
|
4.6
|
77.2
|
1.0
|
|
C
|
A:ASN410
|
4.6
|
0.0
|
1.0
|
|
OD2
|
A:ASP406
|
4.6
|
0.8
|
1.0
|
|
N
|
A:ALA407
|
4.7
|
69.7
|
1.0
|
|
CA
|
A:ASP406
|
4.8
|
84.8
|
1.0
|
|
CB
|
A:ASP414
|
4.8
|
55.5
|
1.0
|
|
N
|
A:VAL413
|
4.8
|
84.4
|
1.0
|
|
C
|
A:VAL413
|
4.8
|
55.4
|
1.0
|
|
N
|
A:ASP414
|
4.8
|
74.9
|
1.0
|
|
N
|
A:THR430
|
4.8
|
62.9
|
1.0
|
|
CB
|
A:ASP406
|
4.9
|
0.3
|
1.0
|
|
C
|
A:GLY411
|
4.9
|
63.9
|
1.0
|
|
C
|
A:ASN409
|
5.0
|
0.8
|
1.0
|
|
CB
|
A:ASP408
|
5.0
|
0.6
|
1.0
|
|
Calcium binding site 4 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 4 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:0.1
occ:1.00
|
O
|
B:GLU354
|
2.9
|
0.8
|
1.0
|
|
O
|
B:SER144
|
2.9
|
0.8
|
1.0
|
|
OD1
|
B:ASP148
|
3.1
|
0.1
|
1.0
|
|
O
|
B:HOH2106
|
3.2
|
0.0
|
1.0
|
|
O
|
B:HOH2107
|
3.2
|
0.7
|
1.0
|
|
OD1
|
B:ASP147
|
3.2
|
92.4
|
1.0
|
|
C
|
B:GLU354
|
3.6
|
0.3
|
1.0
|
|
CA
|
B:GLU354
|
3.7
|
0.2
|
1.0
|
|
OD2
|
B:ASP148
|
3.8
|
0.3
|
1.0
|
|
CG
|
B:ASP148
|
3.8
|
0.8
|
1.0
|
|
CB
|
B:GLU354
|
3.9
|
0.6
|
1.0
|
|
C
|
B:SER144
|
4.1
|
96.7
|
1.0
|
|
CG
|
B:ASP147
|
4.1
|
0.3
|
1.0
|
|
OD2
|
B:ASP147
|
4.3
|
0.9
|
1.0
|
|
CA
|
B:MET145
|
4.5
|
0.8
|
1.0
|
|
SD
|
B:MET145
|
4.6
|
0.9
|
1.0
|
|
CG
|
B:GLU354
|
4.7
|
0.9
|
1.0
|
|
OD2
|
B:ASP270
|
4.7
|
0.6
|
1.0
|
|
N
|
B:MET145
|
4.8
|
0.6
|
1.0
|
|
CB
|
B:ASP270
|
4.8
|
0.2
|
1.0
|
|
N
|
B:ASP355
|
4.9
|
0.1
|
1.0
|
|
Calcium binding site 5 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 5 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2003
b:87.4
occ:1.00
|
OD1
|
B:ASN235
|
2.9
|
0.6
|
1.0
|
|
O
|
B:PRO239
|
2.9
|
0.4
|
1.0
|
|
O
|
B:ASP237
|
3.0
|
0.6
|
1.0
|
|
OD2
|
B:ASP179
|
3.1
|
75.0
|
1.0
|
|
OD1
|
B:ASP237
|
3.2
|
63.5
|
1.0
|
|
OE1
|
B:GLU240
|
3.3
|
0.6
|
1.0
|
|
C
|
B:PRO239
|
3.3
|
50.1
|
1.0
|
|
CA
|
B:GLU240
|
3.5
|
89.1
|
1.0
|
|
O
|
B:SER238
|
3.6
|
66.7
|
1.0
|
|
N
|
B:GLU240
|
3.6
|
65.1
|
1.0
|
|
C
|
B:ASP237
|
3.8
|
0.9
|
1.0
|
|
CG
|
B:ASN235
|
3.8
|
0.8
|
1.0
|
|
CG
|
B:ASP237
|
3.8
|
85.9
|
1.0
|
|
C
|
B:SER238
|
3.9
|
0.1
|
1.0
|
|
CG
|
B:ASP179
|
3.9
|
49.0
|
1.0
|
|
CD
|
B:GLU240
|
3.9
|
0.3
|
1.0
|
|
ND2
|
B:ASN235
|
4.0
|
70.8
|
1.0
|
|
N
|
B:PRO239
|
4.1
|
95.4
|
1.0
|
|
CB
|
B:ASP179
|
4.2
|
42.0
|
1.0
|
|
NE2
|
B:HIS274
|
4.2
|
67.1
|
1.0
|
|
OD2
|
B:ASP237
|
4.3
|
65.0
|
1.0
|
|
CA
|
B:PRO239
|
4.3
|
69.0
|
1.0
|
|
CB
|
B:GLU240
|
4.4
|
90.7
|
1.0
|
|
CG
|
B:GLU240
|
4.5
|
0.5
|
1.0
|
|
CA
|
B:ASP237
|
4.5
|
36.6
|
1.0
|
|
N
|
B:SER238
|
4.5
|
0.1
|
1.0
|
|
C
|
B:GLU240
|
4.5
|
0.1
|
1.0
|
|
N
|
B:ASP237
|
4.5
|
94.0
|
1.0
|
|
CA
|
B:SER238
|
4.6
|
0.1
|
1.0
|
|
CB
|
B:ASP237
|
4.6
|
98.0
|
1.0
|
|
CD2
|
B:HIS274
|
4.6
|
73.5
|
1.0
|
|
OE2
|
B:GLU240
|
4.6
|
88.3
|
1.0
|
|
O
|
B:VAL178
|
4.9
|
70.1
|
1.0
|
|
O
|
B:PHE185
|
4.9
|
0.9
|
1.0
|
|
OD1
|
B:ASP179
|
4.9
|
86.7
|
1.0
|
|
CD
|
B:PRO239
|
4.9
|
95.5
|
1.0
|
|
N
|
B:GLY241
|
5.0
|
65.6
|
1.0
|
|
Calcium binding site 6 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 6 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca601
b:86.3
occ:1.00
|
OD1
|
C:ASP285
|
3.0
|
0.2
|
1.0
|
|
O
|
C:PHE287
|
3.1
|
0.5
|
1.0
|
|
O
|
C:HOH701
|
3.1
|
56.7
|
1.0
|
|
OD1
|
C:ASP289
|
3.2
|
0.5
|
1.0
|
|
OD1
|
C:ASN283
|
3.2
|
90.7
|
1.0
|
|
CG
|
C:ASP289
|
3.2
|
69.2
|
1.0
|
|
N
|
C:ASP289
|
3.3
|
94.0
|
1.0
|
|
OD1
|
C:ASP281
|
3.3
|
74.4
|
1.0
|
|
OD2
|
C:ASP289
|
3.3
|
0.3
|
1.0
|
|
C
|
C:PHE287
|
3.4
|
79.5
|
1.0
|
|
C
|
C:SER288
|
3.6
|
86.0
|
1.0
|
|
CA
|
C:SER288
|
3.6
|
89.8
|
1.0
|
|
N
|
C:SER288
|
3.7
|
0.2
|
1.0
|
|
CA
|
C:ASP281
|
3.9
|
77.5
|
1.0
|
|
CG
|
C:ASP285
|
4.0
|
0.8
|
1.0
|
|
CG
|
C:ASP281
|
4.0
|
0.5
|
1.0
|
|
CB
|
C:ASP289
|
4.1
|
69.2
|
1.0
|
|
CA
|
C:ASP289
|
4.1
|
75.9
|
1.0
|
|
CB
|
C:ASP281
|
4.1
|
84.9
|
1.0
|
|
CG
|
C:ASN283
|
4.2
|
0.9
|
1.0
|
|
N
|
C:LEU282
|
4.2
|
89.4
|
1.0
|
|
O
|
C:ASP285
|
4.3
|
0.9
|
1.0
|
|
OD2
|
C:ASP285
|
4.3
|
0.7
|
1.0
|
|
CA
|
C:PHE287
|
4.3
|
0.0
|
1.0
|
|
CB
|
C:PHE287
|
4.4
|
75.7
|
1.0
|
|
O
|
C:SER288
|
4.4
|
84.5
|
1.0
|
|
CB
|
C:ASN311
|
4.4
|
98.7
|
1.0
|
|
C
|
C:ASP281
|
4.5
|
0.3
|
1.0
|
|
ND2
|
C:ASN283
|
4.6
|
96.6
|
1.0
|
|
O
|
C:VAL280
|
4.6
|
85.0
|
1.0
|
|
N
|
C:ASN283
|
4.7
|
0.5
|
1.0
|
|
N
|
C:ASN311
|
4.8
|
0.8
|
1.0
|
|
N
|
C:PHE287
|
4.8
|
0.6
|
1.0
|
|
O
|
C:ASN311
|
4.8
|
0.3
|
1.0
|
|
N
|
C:ASP281
|
4.9
|
87.4
|
1.0
|
|
Calcium binding site 7 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 7 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca602
b:86.2
occ:1.00
|
OD1
|
C:ASP352
|
2.8
|
83.0
|
1.0
|
|
O
|
C:PHE350
|
2.9
|
0.8
|
1.0
|
|
OD1
|
C:ASP346
|
2.9
|
94.2
|
1.0
|
|
OD1
|
C:ASP348
|
2.9
|
0.2
|
1.0
|
|
O
|
C:HOH702
|
3.0
|
0.3
|
1.0
|
|
OD2
|
C:ASP352
|
3.1
|
91.4
|
1.0
|
|
CG
|
C:ASP348
|
3.2
|
0.2
|
1.0
|
|
OD1
|
C:ASP344
|
3.2
|
83.2
|
1.0
|
|
CG
|
C:ASP352
|
3.3
|
0.0
|
1.0
|
|
OD2
|
C:ASP348
|
3.4
|
99.7
|
1.0
|
|
C
|
C:PHE350
|
3.6
|
0.1
|
1.0
|
|
N
|
C:PHE350
|
3.8
|
0.6
|
1.0
|
|
CB
|
C:PHE350
|
4.0
|
0.5
|
1.0
|
|
CG
|
C:ASP346
|
4.0
|
0.1
|
1.0
|
|
ND2
|
C:ASN371
|
4.0
|
1.0
|
1.0
|
|
CA
|
C:PHE350
|
4.0
|
0.2
|
1.0
|
|
CB
|
C:ASP348
|
4.1
|
0.8
|
1.0
|
|
CG
|
C:ASP344
|
4.2
|
0.5
|
1.0
|
|
N
|
C:ASP348
|
4.2
|
99.3
|
1.0
|
|
OD2
|
C:ASP346
|
4.3
|
92.8
|
1.0
|
|
O
|
C:GLY372
|
4.4
|
0.1
|
1.0
|
|
N
|
C:GLY372
|
4.4
|
0.4
|
1.0
|
|
N
|
C:GLY349
|
4.6
|
99.7
|
1.0
|
|
CA
|
C:ASP348
|
4.6
|
87.3
|
1.0
|
|
N
|
C:GLU351
|
4.6
|
0.1
|
1.0
|
|
CB
|
C:ASN371
|
4.7
|
0.0
|
1.0
|
|
CB
|
C:ASP352
|
4.8
|
90.2
|
1.0
|
|
C
|
C:GLU351
|
4.8
|
98.8
|
1.0
|
|
OD2
|
C:ASP344
|
4.8
|
88.6
|
1.0
|
|
CG
|
C:ASN371
|
4.9
|
0.0
|
1.0
|
|
C
|
C:ASP348
|
4.9
|
0.7
|
1.0
|
|
N
|
C:ASN347
|
4.9
|
82.8
|
1.0
|
|
C
|
C:GLY349
|
4.9
|
73.7
|
1.0
|
|
CD2
|
C:PHE350
|
4.9
|
69.4
|
1.0
|
|
N
|
C:ASP352
|
4.9
|
98.4
|
1.0
|
|
CG
|
C:PHE350
|
4.9
|
93.3
|
1.0
|
|
CA
|
C:ASP344
|
5.0
|
58.7
|
1.0
|
|
N
|
C:ASP346
|
5.0
|
0.1
|
1.0
|
|
O
|
C:GLU351
|
5.0
|
95.5
|
1.0
|
|
Calcium binding site 8 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 8 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca603
b:68.5
occ:1.00
|
O
|
C:TYR412
|
2.7
|
73.2
|
1.0
|
|
OD1
|
C:ASP408
|
2.7
|
70.0
|
1.0
|
|
OD1
|
C:ASN410
|
3.0
|
1.0
|
1.0
|
|
O
|
C:HOH703
|
3.1
|
0.3
|
1.0
|
|
OD1
|
C:ASP414
|
3.1
|
76.4
|
1.0
|
|
OD1
|
C:ASP406
|
3.1
|
77.8
|
1.0
|
|
OD2
|
C:ASP414
|
3.1
|
72.6
|
1.0
|
|
CG
|
C:ASN410
|
3.4
|
0.1
|
1.0
|
|
CG
|
C:ASP414
|
3.4
|
71.2
|
1.0
|
|
C
|
C:TYR412
|
3.6
|
71.1
|
1.0
|
|
N
|
C:TYR412
|
3.7
|
85.7
|
1.0
|
|
CG
|
C:ASP408
|
3.8
|
0.2
|
1.0
|
|
ND2
|
C:ASN410
|
3.8
|
0.0
|
1.0
|
|
N
|
C:ASN410
|
3.9
|
73.2
|
1.0
|
|
CG
|
C:ASP406
|
4.0
|
0.5
|
1.0
|
|
CA
|
C:TYR412
|
4.0
|
86.9
|
1.0
|
|
CB
|
C:TYR412
|
4.0
|
78.1
|
1.0
|
|
CB
|
C:ASN410
|
4.2
|
0.3
|
1.0
|
|
OD2
|
C:ASP408
|
4.2
|
82.5
|
1.0
|
|
OG1
|
C:THR430
|
4.2
|
92.2
|
1.0
|
|
CA
|
C:ASN410
|
4.3
|
1.0
|
1.0
|
|
N
|
C:GLY411
|
4.4
|
74.4
|
1.0
|
|
O
|
C:THR430
|
4.6
|
67.2
|
1.0
|
|
N
|
C:ASN409
|
4.6
|
88.0
|
1.0
|
|
OD2
|
C:ASP406
|
4.6
|
0.1
|
1.0
|
|
C
|
C:ASN410
|
4.6
|
0.7
|
1.0
|
|
N
|
C:ASP408
|
4.6
|
77.4
|
1.0
|
|
N
|
C:ALA407
|
4.6
|
63.6
|
1.0
|
|
CA
|
C:ASP406
|
4.7
|
83.4
|
1.0
|
|
CB
|
C:ASP414
|
4.8
|
71.5
|
1.0
|
|
N
|
C:VAL413
|
4.8
|
89.0
|
1.0
|
|
CB
|
C:ASP406
|
4.8
|
0.4
|
1.0
|
|
C
|
C:VAL413
|
4.8
|
66.4
|
1.0
|
|
N
|
C:ASP414
|
4.8
|
79.9
|
1.0
|
|
C
|
C:GLY411
|
4.9
|
77.7
|
1.0
|
|
N
|
C:THR430
|
4.9
|
64.3
|
1.0
|
|
C
|
C:ASN409
|
5.0
|
0.6
|
1.0
|
|
Calcium binding site 9 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 9 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca2002
b:0.9
occ:1.00
|
O
|
D:SER144
|
2.9
|
0.2
|
1.0
|
|
O
|
D:GLU354
|
2.9
|
0.9
|
1.0
|
|
OD1
|
D:ASP148
|
3.1
|
0.2
|
1.0
|
|
O
|
D:HOH2104
|
3.1
|
99.9
|
1.0
|
|
O
|
D:HOH2107
|
3.2
|
0.7
|
1.0
|
|
OD1
|
D:ASP147
|
3.2
|
0.5
|
1.0
|
|
C
|
D:GLU354
|
3.7
|
0.0
|
1.0
|
|
CA
|
D:GLU354
|
3.7
|
0.3
|
1.0
|
|
CB
|
D:GLU354
|
3.8
|
0.3
|
1.0
|
|
OD2
|
D:ASP148
|
3.9
|
0.0
|
1.0
|
|
CG
|
D:ASP148
|
3.9
|
0.4
|
1.0
|
|
C
|
D:SER144
|
4.1
|
0.3
|
1.0
|
|
CG
|
D:ASP147
|
4.1
|
0.5
|
1.0
|
|
OD2
|
D:ASP147
|
4.2
|
0.2
|
1.0
|
|
CA
|
D:MET145
|
4.6
|
1.0
|
1.0
|
|
SD
|
D:MET145
|
4.6
|
0.6
|
1.0
|
|
CG
|
D:GLU354
|
4.7
|
0.3
|
1.0
|
|
OD2
|
D:ASP270
|
4.7
|
0.8
|
1.0
|
|
N
|
D:MET145
|
4.8
|
0.5
|
1.0
|
|
CB
|
D:ASP270
|
4.8
|
0.6
|
1.0
|
|
N
|
D:ASP355
|
4.9
|
0.9
|
1.0
|
|
Calcium binding site 10 out
of 10 in 3v4p
Go back to
Calcium Binding Sites List in 3v4p
Calcium binding site 10 out
of 10 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca2003
b:0.6
occ:1.00
|
OD1
|
D:ASN235
|
2.9
|
0.1
|
1.0
|
|
O
|
D:PRO239
|
2.9
|
99.9
|
1.0
|
|
O
|
D:ASP237
|
3.0
|
0.4
|
1.0
|
|
OD2
|
D:ASP179
|
3.2
|
0.3
|
1.0
|
|
OD1
|
D:ASP237
|
3.2
|
0.5
|
1.0
|
|
OE1
|
D:GLU240
|
3.3
|
0.9
|
1.0
|
|
C
|
D:PRO239
|
3.3
|
83.4
|
1.0
|
|
CA
|
D:GLU240
|
3.5
|
0.3
|
1.0
|
|
O
|
D:SER238
|
3.6
|
89.5
|
1.0
|
|
N
|
D:GLU240
|
3.6
|
79.0
|
1.0
|
|
C
|
D:ASP237
|
3.7
|
0.8
|
1.0
|
|
CG
|
D:ASP237
|
3.8
|
0.0
|
1.0
|
|
CG
|
D:ASN235
|
3.8
|
0.7
|
1.0
|
|
C
|
D:SER238
|
3.8
|
0.5
|
1.0
|
|
CD
|
D:GLU240
|
3.9
|
0.9
|
1.0
|
|
CG
|
D:ASP179
|
4.0
|
95.0
|
1.0
|
|
ND2
|
D:ASN235
|
4.0
|
81.7
|
1.0
|
|
N
|
D:PRO239
|
4.1
|
0.2
|
1.0
|
|
CB
|
D:ASP179
|
4.2
|
75.4
|
1.0
|
|
NE2
|
D:HIS274
|
4.2
|
79.4
|
1.0
|
|
OD2
|
D:ASP237
|
4.2
|
98.8
|
1.0
|
|
CA
|
D:PRO239
|
4.3
|
0.8
|
1.0
|
|
CB
|
D:GLU240
|
4.4
|
0.5
|
1.0
|
|
CG
|
D:GLU240
|
4.4
|
0.0
|
1.0
|
|
N
|
D:SER238
|
4.5
|
1.0
|
1.0
|
|
CA
|
D:ASP237
|
4.5
|
78.8
|
1.0
|
|
C
|
D:GLU240
|
4.5
|
0.8
|
1.0
|
|
N
|
D:ASP237
|
4.5
|
0.1
|
1.0
|
|
CA
|
D:SER238
|
4.6
|
0.2
|
1.0
|
|
CB
|
D:ASP237
|
4.6
|
97.3
|
1.0
|
|
CD2
|
D:HIS274
|
4.6
|
92.3
|
1.0
|
|
OE2
|
D:GLU240
|
4.7
|
0.9
|
1.0
|
|
CD
|
D:PRO239
|
4.9
|
0.6
|
1.0
|
|
O
|
D:VAL178
|
4.9
|
90.7
|
1.0
|
|
O
|
D:PHE185
|
4.9
|
0.2
|
1.0
|
|
OD1
|
D:ASP179
|
5.0
|
0.3
|
1.0
|
|
N
|
D:GLY241
|
5.0
|
78.7
|
1.0
|
|
Reference:
Y.Yu,
J.Zhu,
L.Z.Mi,
T.Walz,
H.Sun,
J.Chen,
T.A.Springer.
Structural Specializations of A4B7, An Integrin That Mediates Rolling Adhesion J.Cell Biol. V. 196 131 2012.
ISSN: ISSN 0021-9525
PubMed: 22232704
DOI: 10.1083/JCB.201110023
Page generated: Tue Jul 8 17:29:49 2025
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