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ICAP1 in complex with integrin beta 1 cytoplasmic tail

Analyse ICAP1 in complex with integrin beta 1 cytoplasmic tail in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4DX9
Type: protein
Length: 3,767 residues
Chains: 62
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Integrin beta-1-binding protein 1; Integrin beta-1
UniProt: O14713, P05556
Pockets: 20 · best druggability 0.77

Structure

x-ray diffraction · 45 distinct chains · 22% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Integrin beta-1-binding protein 1	protein	106	26% helix, 22% strand	O14713
0	Integrin beta-1-binding protein 1	protein	110	25% helix, 37% strand	O14713
k	Integrin beta-1-binding protein 1	protein	105	27% helix, 44% strand	O14713
l	Integrin beta-1	protein	7	0% helix, 0% strand	P05556
m	Integrin beta-1-binding protein 1	protein	127	23% helix, 40% strand	O14713
n, D, H, F, J, 7, L, 6, N, P, d, f, R, T, Z	Integrin beta-1	protein	11	0% helix, 36% strand	P05556
1	Integrin beta-1-binding protein 1	protein	118	25% helix, 34% strand	O14713
C	Integrin beta-1-binding protein 1	protein	127	25% helix, 36% strand	O14713
x	Integrin beta-1	protein	4	0% helix, 0% strand	P05556
2	Integrin beta-1-binding protein 1	protein	91	30% helix, 29% strand	O14713
E	Integrin beta-1-binding protein 1	protein	113	25% helix, 37% strand	O14713
3	Integrin beta-1-binding protein 1	protein	104	22% helix, 42% strand	O14713
G	Integrin beta-1-binding protein 1	protein	127	23% helix, 40% strand	O14713
8	Integrin beta-1	protein	8	0% helix, 38% strand	P05556
o	Integrin beta-1-binding protein 1	protein	63	11% helix, 22% strand	O14713
p	Integrin beta-1	protein	5	0% helix, 0% strand	P05556
q	Integrin beta-1-binding protein 1	protein	47	0% helix, 17% strand	O14713
B, b, h, V	Integrin beta-1	protein	10	0% helix, 70% strand	P05556
9	Integrin beta-1	protein	8	0% helix, 63% strand	P05556
r	Integrin beta-1	protein	2	0% helix, 0% strand	P05556
I	Integrin beta-1-binding protein 1	protein	125	22% helix, 33% strand	O14713
4	Integrin beta-1-binding protein 1	protein	129	21% helix, 36% strand	O14713
K	Integrin beta-1-binding protein 1	protein	116	23% helix, 39% strand	O14713
5	Integrin beta-1-binding protein 1	protein	128	20% helix, 39% strand	O14713
M	Integrin beta-1-binding protein 1	protein	124	23% helix, 40% strand	O14713
O	Integrin beta-1-binding protein 1	protein	102	25% helix, 31% strand	O14713
a	Integrin beta-1-binding protein 1	protein	99	24% helix, 38% strand	O14713
s	Integrin beta-1-binding protein 1	protein	102	27% helix, 35% strand	O14713
t	Integrin beta-1	protein	8	0% helix, 0% strand	P05556
u	Integrin beta-1-binding protein 1	protein	106	21% helix, 43% strand	O14713
v	Integrin beta-1	protein	8	0% helix, 50% strand	P05556
c	Integrin beta-1-binding protein 1	protein	120	24% helix, 39% strand	O14713
e	Integrin beta-1-binding protein 1	protein	126	25% helix, 42% strand	O14713
g	Integrin beta-1-binding protein 1	protein	127	20% helix, 42% strand	O14713
i	Integrin beta-1-binding protein 1	protein	101	23% helix, 30% strand	O14713
j	Integrin beta-1	protein	4	0% helix, 25% strand	P05556
Q	Integrin beta-1-binding protein 1	protein	122	25% helix, 39% strand	O14713
S	Integrin beta-1-binding protein 1	protein	126	21% helix, 42% strand	O14713
U	Integrin beta-1-binding protein 1	protein	101	27% helix, 43% strand	O14713
W	Integrin beta-1-binding protein 1	protein	128	22% helix, 41% strand	O14713
w	Integrin beta-1-binding protein 1	protein	49	14% helix, 18% strand	O14713
X	Integrin beta-1	protein	12	0% helix, 58% strand	P05556
Y	Integrin beta-1-binding protein 1	protein	129	22% helix, 43% strand	O14713
y	Integrin beta-1-binding protein 1	protein	93	25% helix, 43% strand	O14713
z	Integrin beta-1	protein	5	0% helix, 20% strand	P05556

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	686	0.77	0.82	67	empty
2	970	0.77	0.79	106	empty
3	516	0.75	0.83	54	empty
4	904	0.75	0.78	87	empty
5	436	0.75	0.84	45	empty

Interfaces

151 interfaces between chains.

S–Y · 851 Å² buried · 2 hydrogen bonds · protein-protein
C–I · 769 Å² buried · 6 hydrogen bonds · protein-protein
A–E · 752 Å² buried · 14 hydrogen bonds · protein-protein
e–Y · 748 Å² buried · 13 hydrogen bonds · protein-protein
a–c · 738 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 64 modified (engineered).

Compared structures

4DX9 · ICAP1 in complex with integrin beta 1 cytoplasmic tail · the same entry in another collection · chain x against x, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O14713
Every structure of UniProt P05556
Elsewhere: RCSB PDB 4DX9 · PDBe 4DX9 · UniProt O14713 · UniProt P05556

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