MolNFT v1 · #181170 · protein

Specific inhibitor of integrin alpha-V beta-6

7LMV · Integrin inhibitor: “Specific inhibitor of integrin alpha-V beta-6”. X-ray diffraction, 9 pockets (best druggability 0.65). MolNFT v1 #181170 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7LMV
Type: protein
Length: 802 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Integrin inhibitor
Pockets: 9 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, G, J, K	Integrin inhibitor	protein	66	38% helix, 30% strand	—
B, C, E, I	Integrin inhibitor	protein	67	37% helix, 30% strand	—
F, H, L	Integrin inhibitor	protein	68	37% helix, 29% strand	—

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	541	0.65	0.77	51	empty
2	479	0.62	0.76	50	empty
3	405	0.59	0.76	41	empty
4	306	0.54	0.76	33	empty
5	80	0.41	0.79	18	empty

Interfaces

12 interfaces between chains.

A–E · 358 Å² buried · 4 hydrogen bonds · protein-protein
H–L · 358 Å² buried · 2 hydrogen bonds · protein-protein
B–F · 346 Å² buried · 3 hydrogen bonds · protein-protein
A–C · 326 Å² buried · 2 hydrogen bonds · protein-protein
G–I · 314 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7LMV · Specific inhibitor of integrin alpha-V beta-6 · the same entry in another collection · chain A against A, 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
Elsewhere: RCSB PDB 7LMV · PDBe 7LMV

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