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Crystal structure of RV2671 from mycobacterium tuberculosis in complex with the tetrahydropteridine ring of tetrahydrofolate (thf)

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

PDB: 4XT6
Type: protein
Length: 237 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RV2671
UniProt: P71968
Ligands: NAP, 44V
Pockets: 4 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RV2671	protein	237	26% helix, 23% strand	P71968

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
44V · (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one · ligand · chains A

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

Pockets

4 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	225	0.53	0.77	31	44V
2	199	0.49	0.75	28	empty
3	111	0.38	0.74	16	empty
4	82	0.32	0.74	16	NAP

Compared structures

4XT6 · Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00

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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 4XT6 · PDBe 4XT6 · UniProt P71968

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