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Structure of moaa in complex with S-adenosylmethionine

Analyse Structure of moaa in complex with S-adenosylmethionine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1TV8
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: P65388
Ligands: SF4, SAM, SO4
Pockets: 6 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Molybdenum cofactor biosynthesis protein a	protein	327	36% helix, 18% strand	P65388
B	Molybdenum cofactor biosynthesis protein a	protein	326	35% helix, 18% strand	P65388

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · 4 copies · chains A, B
SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B
DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1072	0.83	0.84	85	SO4, SAM, SF4, DTU
2	1061	0.82	0.83	84	SO4, SAM, SF4
3	568	0.82	0.87	74	empty
4	71	0.30	0.73	16	empty
5	68	0.29	0.73	19	empty

Interfaces

1 interface between chains.

A–B · 1545 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

1TV8 · Structure of MoaA in complex with S-adenosylmethionine · the same entry in another collection · chain B against B, TM-score 1.00
P65388 · AlphaFold monomer V2.0 prediction for GTP 3',8-cyclase (P65388) · 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 P65388
Elsewhere: RCSB PDB 1TV8 · PDBe 1TV8 · UniProt P65388

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