MolNFT v1 · #1643 · protein

Structure of human alpha-thrombin Y225I mutant bound to D-phe-pro-arg- chloromethylketone

1B7X · Protein (thrombin light chain): “Structure of human alpha-thrombin Y225I mutant bound to D-phe-pro-arg- chloromethylketone”. X-ray diffraction, 2 pockets (best druggability 0.60). MolNFT v1 #1643 on GenesisL1: 3D structure, binding…

PDB: 1B7X
Type: protein
Length: 275 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (thrombin light chain); Protein (thrombin heavy chain); Protein (inhibitor)
EC: 3.4.21.5
UniProt: P00734
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 17% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (thrombin light chain) (EC 3.4.21.5)	protein	26	38% helix, 0% strand	P00734
B	Protein (thrombin heavy chain) (EC 3.4.21.5)	protein	246	15% helix, 35% strand	P00734
C	Protein (inhibitor)	protein	3	0% helix, 33% strand	—

Pockets

2 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	53	0.60	0.92	21	empty
2	95	0.44	0.79	22	empty

Interfaces

2 interfaces between chains.

A–B · 1141 Å² buried · 27 hydrogen bonds · protein-protein
B–C · 431 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1B7X · Structure of human alpha-thrombin Y225I mutant bound to D-phe-pro-arg-chloromethylketone · 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
Every structure of UniProt P00734
Elsewhere: RCSB PDB 1B7X · PDBe 1B7X · UniProt P00734

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