MolNFT v1 · #27386 · protein

Alanine aminotransferase from pyrococcus furiosus pfu-1397077-001

1XI9 · Putative transaminase: “Alanine aminotransferase from pyrococcus furiosus pfu-1397077-001”. X-ray diffraction, 1 ligand (PLP), 13 pockets (best druggability 0.84). MolNFT v1 #27386 on GenesisL1: 3D structure, binding sites and…

PDB: 1XI9
Type: protein
Length: 1,553 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative transaminase
UniProt: Q9P9M8
Ligands: PLP
Pockets: 13 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative transaminase	protein	388	46% helix, 16% strand	Q9P9M8
B, D	Putative transaminase	protein	386	45% helix, 16% strand	Q9P9M8
C	Putative transaminase	protein	393	47% helix, 16% strand	Q9P9M8

Ligands and binding sites

PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

13 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	211	0.84	0.97	35	empty
2	207	0.83	0.96	34	empty
3	993	0.76	0.79	96	empty
4	438	0.72	0.82	38	empty
5	60	0.69	0.95	19	PLP

Interfaces

5 interfaces between chains.

C–D · 2752 Å² buried · 41 hydrogen bonds · protein-protein
A–B · 2720 Å² buried · 40 hydrogen bonds · protein-protein
B–C · 336 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 183 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 132 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

1XI9 · Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001 · 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 Q9P9M8
Elsewhere: RCSB PDB 1XI9 · PDBe 1XI9 · UniProt Q9P9M8

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