MolNFT v1 · #90631 · protein

Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis

4EP1: “Crystal structure of anabolic ornithine carbamoyltransferase from bacillus anthracis”. X-ray diffraction, 6 pockets (best druggability 0.54). MolNFT v1 #90631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4EP1
Type: protein
Length: 594 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ornithine carbamoyltransferase
EC: 2.1.3.3
UniProt: Q81M99
Pockets: 6 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ornithine carbamoyltransferase (EC 2.1.3.3)	protein	297	46% helix, 16% strand	Q81M99

Pockets

6 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	319	0.54	0.74	47	empty
2	93	0.45	0.80	19	empty
3	142	0.45	0.76	20	empty
4	91	0.39	0.77	17	empty
5	111	0.39	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 670 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4EP1 · Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis · the same entry in another collection · chain A against A, TM-score 1.00
Q81M99 · AlphaFold monomer V2.0 prediction for ornithine carbamoyltransferase (Q81M99) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q81M99
Elsewhere: RCSB PDB 4EP1 · PDBe 4EP1 · UniProt Q81M99

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