MolNFT v1 · #86524 · protein

The structure of the omega aminotransferase from pseudomonas aeruginosa

4B9B · Beta-alanine-pyruvate transaminase: “The structure of the omega aminotransferase from pseudomonas aeruginosa”. X-ray diffraction, 3 ligands (PLP, CA, CL), 20 pockets (best druggability 0.85). MolNFT v1 #86524 on GenesisL1: 3D…

PDB: 4B9B
Type: protein
Length: 3,486 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-alanine-pyruvate transaminase
EC: 2.6.1.18
UniProt: A3LGU8
Ligands: PLP, CA, CL
Pockets: 20 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D, F, G, H	Beta-alanine-pyruvate transaminase (EC 2.6.1.18)	protein	436	40% helix, 18% strand	A3LGU8
B, E	Beta-alanine-pyruvate transaminase (EC 2.6.1.18)	protein	435	40% helix, 18% strand	A3LGU8

Ligands and binding sites

PLP · Pyridoxal-5'-phosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
CA · Calcium ion · metal · 4 copies · chains C, E, D, F, A, G, B, H
CL · Chloride ion · ion · 8 copies · chains A, B, C, D, E, F, G, H
GOL · Glycerol · additive · 10 copies · chains A, G, B, H, C, E, F

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	330	0.85	0.96	58	empty
2	324	0.85	0.96	61	empty
3	319	0.85	0.96	56	empty
4	300	0.85	0.96	55	empty
5	681	0.78	0.82	71	CL, PLP

Interfaces

14 interfaces between chains.

G–H · 6142 Å² buried · 90 hydrogen bonds · protein-protein
C–D · 6121 Å² buried · 95 hydrogen bonds · protein-protein
E–F · 6121 Å² buried · 96 hydrogen bonds · protein-protein
A–B · 6044 Å² buried · 90 hydrogen bonds · protein-protein
B–H · 903 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4B9B · The structure of the omega aminotransferase from Pseudomonas aeruginosa · 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 A3LGU8
Elsewhere: RCSB PDB 4B9B · PDBe 4B9B · UniProt A3LGU8

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