MolNFT v1 · #77979 · protein

Crystal structure of the ornithine-oxo acid transaminase rocd from bacillus anthracis

3RUY · Ornithine aminotransferase: “Crystal structure of the ornithine-oxo acid transaminase rocd from bacillus anthracis”. X-ray diffraction, 4 pockets (best druggability 0.67). MolNFT v1 #77979 on GenesisL1: 3D structure, binding sites…

PDB: 3RUY
Type: protein
Length: 784 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ornithine aminotransferase
EC: 2.6.1.13
UniProt: Q81TV3
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ornithine aminotransferase (EC 2.6.1.13)	protein	392	36% helix, 19% strand	Q81TV3

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	360	0.67	0.81	35	empty
2	346	0.67	0.81	36	empty
3	63	0.42	0.81	19	empty
4	58	0.34	0.77	12	empty

Interfaces

1 interface between chains.

A–B · 5106 Å² buried · 72 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (cofactor).

Compared structures

3RUY · Crystal Structure of the Ornithine-oxo acid transaminase RocD from Bacillus anthracis · the same entry in another collection · chain A against A, TM-score 1.00
Q81TV3 · AlphaFold monomer V2.0 prediction for ornithine aminotransferase (Q81TV3) · a predicted model of the same protein · 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 Q81TV3
Elsewhere: RCSB PDB 3RUY · PDBe 3RUY · UniProt Q81TV3

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