MolNFT v1 · #24455 · protein

Bovine thrombin--BM51.1011 complex

1UVS: “Bovine thrombin--BM51.1011 complex”. X-ray diffraction, 1 ligand (I11), 3 pockets (best druggability 0.51). MolNFT v1 #24455 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1UVS
Type: protein
Length: 268 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thrombin
EC: 3.4.21.5
UniProt: P00734
Ligands: I11
Pockets: 3 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Thrombin (EC 3.4.21.5)	protein	27	41% helix, 0% strand	P00734
H	Thrombin (EC 3.4.21.5)	protein	241	11% helix, 35% strand	P00734

Ligands and binding sites

I11 · [[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine · ligand · chains H

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

Pockets

3 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	51	0.51	0.87	16	empty
2	176	0.49	0.77	26	I11
3	53	0.32	0.77	13	empty

Interfaces

1 interface between chains.

L–H · 1071 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1UVS · Bovine thrombin--BM51.1011 complex · the same entry in another collection · chain L against L, 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 1UVS · PDBe 1UVS · UniProt P00734

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.