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Crystal structure of RV2671 from mycobacterium tuberculosis in complex with NADP+ and trimethoprim

Analyse Crystal structure of RV2671 from mycobacterium tuberculosis in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4XT7
Type: protein
Length: 246 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RV2671
UniProt: P71968
Ligands: NAP, TOP
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RV2671	protein	246	28% helix, 22% strand	P71968

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
TOP · Trimethoprim · ligand · chains A
GOL · Glycerol · additive · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	297	0.62	0.79	46	NAP, TOP, GOL
2	170	0.47	0.76	24	empty
3	122	0.40	0.74	19	empty

Compared structures

4XT7 · Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and… · 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 P71968
Elsewhere: RCSB PDB 4XT7 · PDBe 4XT7 · UniProt P71968

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