MolNFT v1 · #109021 · protein

Group a streptococcus gaca is an essential dtdp-4-dehydrorhamnose reductase (rmld)

4WPG: “Group a streptococcus gaca is an essential dtdp-4-dehydrorhamnose reductase (rmld)”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.70). MolNFT v1 #109021 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4WPG
Type: protein
Length: 287 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dtdp-4-dehydrorhamnose reductase
EC: 1.1.1.133
UniProt: T0BV37
Ligands: PO4
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dtdp-4-dehydrorhamnose reductase (EC 1.1.1.133)	protein	287	40% helix, 17% strand	T0BV37

Ligands and binding sites

PO4 · Phosphate ion · ion · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A

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

Pockets

2 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	600	0.70	0.78	59	PO4
2	51	0.25	0.73	9	MRD

Compared structures

4WPG · Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD) · 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 T0BV37
Elsewhere: RCSB PDB 4WPG · PDBe 4WPG · UniProt T0BV37

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