MolNFT v1 · #90492 · protein

Crystal structure of reduced hpdi (ABB'XA')

4EKZ · Protein disulfide-isomerase: “Crystal structure of reduced hpdi (ABB'XA')”. X-ray diffraction, 5 pockets (best druggability 0.54). MolNFT v1 #90492 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4EKZ
Type: protein
Length: 469 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein disulfide-isomerase
EC: 5.3.4.1
UniProt: P07237
Pockets: 5 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein disulfide-isomerase (EC 5.3.4.1)	protein	469	33% helix, 20% strand	P07237

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	153	0.54	0.81	24	empty
2	229	0.53	0.76	24	empty
3	158	0.50	0.78	27	empty
4	59	0.33	0.77	15	empty
5	80	0.31	0.73	18	empty

Compared structures

4EKZ · Crystal structure of reduced hPDI (abb'xa') · the same entry in another collection · chain A against A, TM-score 1.00
P07237 · AlphaFold monomer V2.0 prediction for protein disulfide-isomerase (P07237) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 P07237
Elsewhere: RCSB PDB 4EKZ · PDBe 4EKZ · UniProt P07237

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