MolNFT v1 · #68987 · protein

Room temperature neutron structure of apo-D-xylose isomerase (refined jointly with X-ray structure 3KBJ)

3KCJ: “Room temperature neutron structure of apo-D-xylose isomerase (refined jointly with X-ray structure 3KBJ)”. Neutron diffraction; x-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #68987 on GenesisL1: 3D structure…

PDB: 3KCJ
Type: protein
Length: 388 residues
Chains: 1
Method: neutron diffraction; x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xylose isomerase
EC: 5.3.1.5
UniProt: P24300
Pockets: 4 · best druggability 0.64

Structure

neutron diffraction; x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Xylose isomerase (EC 5.3.1.5)	protein	388	50% helix, 10% strand	P24300

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	438	0.64	0.77	46	empty
2	85	0.50	0.83	14	empty
3	60	0.38	0.79	13	empty
4	60	0.27	0.72	15	empty

Compared structures

3KCJ · Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray… · the same entry in another collection · chain A against A, TM-score 1.00
P24300 · AlphaFold monomer V2.0 prediction for xylose isomerase (P24300) · 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 P24300
Elsewhere: RCSB PDB 3KCJ · PDBe 3KCJ · UniProt P24300

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