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Crystal structure of RV2671 from mycobacteirum tuberculosis in complex with dihydropteridine ring of dihydropteroic acid

Analyse Crystal structure of RV2671 from mycobacteirum 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: 4XT4
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, 44W
Pockets: 3 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RV2671	protein	246	28% helix, 23% strand	P71968

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
44W · 2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one · ligand · chains A
GOL · Glycerol · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	307	0.59	0.78	44	NAP, 44W, GOL
2	208	0.50	0.76	31	empty
3	137	0.43	0.75	20	empty

Compared structures

4XT4 · Crystal structure of Rv2671 from Mycobacteirum tuberculosis in complex with… · 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 4XT4 · PDBe 4XT4 · UniProt P71968

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