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Structure of factor viia in complex with the inhibitor (6S)-N-(4- carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo- 4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-carboxamide

Analyse Structure of factor viia in complex with the inhibitor (6S)-N-(4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4ISI
Type: protein
Length: 309 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Factor VII heavy chain; Factor VII light chain
EC: 3.4.21.21
UniProt: P08709
Ligands: 1GG, CA
Pockets: 4 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Factor VII heavy chain (EC 3.4.21.21)	protein	254	14% helix, 37% strand	P08709
L	Factor VII light chain (EC 3.4.21.21)	protein	55	15% helix, 25% strand	P08709

Ligands and binding sites

1GG · (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide · ligand · chains H
CA · Calcium ion · metal · chains H

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.52	0.84	18	empty
2	138	0.43	0.76	30	1GG
3	94	0.36	0.75	15	empty
4	62	0.27	0.73	12	empty

Interfaces

1 interface between chains.

H–L · 1035 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4ISI · Structure of FACTOR VIIA in complex with the inhibitor… · the same entry in another collection · chain H against H, TM-score 1.00
P08709 · AlphaFold monomer V2.0 prediction for coagulation factor VII (P08709) · a predicted model of the same protein · chain H against A, TM-score 0.97

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 P08709
Elsewhere: RCSB PDB 4ISI · PDBe 4ISI · UniProt P08709

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