MolNFT v1 · #10578 · protein

Structure of aspartate aminotransferase

1IVR: “Structure of aspartate aminotransferase”. X-ray diffraction, 1 ligand (CBA), 5 pockets (best druggability 0.62). MolNFT v1 #10578 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1IVR
Type: protein
Length: 401 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aspartate aminotransferase
EC: 2.6.1.1
UniProt: P00508
Ligands: CBA
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aspartate aminotransferase (EC 2.6.1.1)	protein	401	48% helix, 14% strand	P00508

Ligands and binding sites

CBA · N-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate · ligand · chains A

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

Pockets

5 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	229	0.62	0.82	39	CBA
2	227	0.53	0.76	24	empty
3	122	0.45	0.77	14	empty
4	54	0.31	0.77	14	empty
5	50	0.25	0.73	16	empty

Compared structures

1IVR · Structure of aspartate aminotransferase · the same entry in another collection · chain A against A, TM-score 1.00
P00508 · AlphaFold monomer V2.0 prediction for aspartate aminotransferase, mitochondrial (P00508) · 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 P00508
Elsewhere: RCSB PDB 1IVR · PDBe 1IVR · UniProt P00508

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