MolNFT v1 · #49377 · protein

Meab, a bacterial homolog of mmaa, in the nucleotide free form

2QM8 · GTPASE/ATPASE: “Meab, a bacterial homolog of mmaa, in the nucleotide free form”. X-ray diffraction, 1 ligand (PO4), 12 pockets (best druggability 0.63). MolNFT v1 #49377 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2QM8
Type: protein
Length: 638 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPASE/ATPASE
UniProt: Q8RPA0
Ligands: PO4
Pockets: 12 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPASE/ATPASE	protein	320	54% helix, 13% strand	Q8RPA0
B	GTPASE/ATPASE	protein	318	56% helix, 12% strand	Q8RPA0

Ligands and binding sites

PO4 · Phosphate ion · ion · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	232	0.63	0.82	40	empty
2	261	0.62	0.81	42	PO4
3	230	0.60	0.80	38	empty
4	421	0.56	0.73	43	empty
5	315	0.56	0.76	31	empty

Interfaces

1 interface between chains.

A–B · 2322 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

2QM8 · MeaB, A Bacterial Homolog of MMAA, in the Nucleotide Free Form · 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 Q8RPA0
Elsewhere: RCSB PDB 2QM8 · PDBe 2QM8 · UniProt Q8RPA0

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