MolNFT v1 · #10731 · protein

Acc deaminase mutant reacton intermediate

1J0E · 1-aminocyclopropane-1-carboxylate deaminase: “Acc deaminase mutant reacton intermediate”. X-ray diffraction, 2 ligands (PLP, 1AC), 17 pockets (best druggability 0.79). MolNFT v1 #10731 on GenesisL1: 3D structure, binding sites and…

PDB: 1J0E
Type: protein
Length: 1,364 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1-aminocyclopropane-1-carboxylate deaminase
EC: 4.1.99.4
UniProt: Q7M523
Ligands: PLP, 1AC
Pockets: 17 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	1-aminocyclopropane-1-carboxylate deaminase (EC 4.1.99.4)	protein	341	43% helix, 16% strand	Q7M523

Ligands and binding sites

PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
1AC · 1-aminocyclopropanecarboxylic acid · ligand · 4 copies · chains A, B, C, D

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

Pockets

17 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	115	0.79	0.98	42	PLP, 1AC
2	96	0.79	0.99	33	PLP, 1AC
3	97	0.78	0.99	28	PLP, 1AC
4	105	0.78	0.98	37	empty
5	98	0.77	0.98	39	empty

Interfaces

5 interfaces between chains.

C–D · 1924 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 1914 Å² buried · 28 hydrogen bonds · protein-protein
B–D · 405 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 281 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 245 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (pyridoxal phosphate Schiff base).

Compared structures

1J0E · ACC deaminase mutant reacton intermediate · the same entry in another collection · chain D against D, TM-score 1.00
Q7M523 · AlphaFold monomer V2.0 prediction for 1-aminocyclopropane-1-carboxylate deaminase (Q7M523) · a predicted model of the same protein · chain B 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 Q7M523
Elsewhere: RCSB PDB 1J0E · PDBe 1J0E · UniProt Q7M523

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