MolNFT v1 · #36611 · protein

Structure of moaa in complex with 5'-GTP

2FB3 · Molybdenum cofactor biosynthesis protein a: “Structure of moaa in complex with 5'-GTP”. X-ray diffraction, 6 ligands (SF4, MET, GTP), 5 pockets (best druggability 0.87). MolNFT v1 #36611 on GenesisL1: 3D structure, binding sites and…

PDB: 2FB3
Type: protein
Length: 653 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Molybdenum cofactor biosynthesis protein a
UniProt: P69848
Ligands: SF4, MET, GTP, 5AD, POP, SO4
Pockets: 5 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Molybdenum cofactor biosynthesis protein a	protein	327	36% helix, 19% strand	P69848
B	Molybdenum cofactor biosynthesis protein a	protein	326	37% helix, 19% strand	P69848

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · 4 copies · chains A, B
MET · Methionine · ligand · 2 copies · chains A, B
GTP · Guanosine-5'-triphosphate · ligand · chains A
5AD · 5'-deoxyadenosine · ligand · chains A
POP · Pyrophosphate 2- · ligand · chains B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

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	1020	0.87	0.88	114	SO4, MET, SF4, GTP, 5AD
2	1087	0.82	0.83	89	SO4, MET, SF4, POP
3	72	0.30	0.73	19	empty
4	60	0.26	0.73	16	empty
5	62	0.26	0.72	15	empty

Interfaces

1 interface between chains.

A–B · 1356 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

2FB3 · Structure of MoaA in complex with 5'-GTP · the same entry in another collection · chain B against B, TM-score 1.00
P69848 · AlphaFold monomer V2.0 prediction for GTP 3',8-cyclase (P69848) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P69848
Elsewhere: RCSB PDB 2FB3 · PDBe 2FB3 · UniProt P69848

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