MolNFT v1 · #110323 · protein

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

4XT4: “Crystal structure of RV2671 from mycobacteirum tuberculosis in complex with dihydropteridine ring of…”. X-ray diffraction, 2 ligands (NAP, 44W), 3 pockets (best druggability 0.59). MolNFT v1 #110323 on GenesisL1: 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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