MolNFT v1 · #108991 · protein

The duplicated taurocyamine kinase from schistosoma mansoni complexed with arginine

4WOD: “The duplicated taurocyamine kinase from schistosoma mansoni complexed with arginine”. X-ray diffraction, 1 ligand (ARG), 5 pockets (best druggability 0.61). MolNFT v1 #108991 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4WOD
Type: protein
Length: 706 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Taurocyamine kinase
EC: 2.7.3.4
UniProt: P16641
Ligands: ARG
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Taurocyamine kinase (EC 2.7.3.4)	protein	706	38% helix, 17% strand	P16641

Ligands and binding sites

ARG · Arginine · ligand · chains A

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

Pockets

5 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	585	0.61	0.74	50	ARG
2	265	0.51	0.75	35	empty
3	99	0.41	0.77	16	empty
4	50	0.35	0.78	12	empty
5	75	0.32	0.74	18	empty

Compared structures

4WOD · The duplicated taurocyamine kinase from Schistosoma mansoni complexed with arginine · the same entry in another collection · chain A against A, TM-score 1.00
P16641 · AlphaFold monomer V2.0 prediction for taurocyamine kinase (P16641) · a predicted model of the same protein · 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 P16641
Elsewhere: RCSB PDB 4WOD · PDBe 4WOD · UniProt P16641

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