MolNFT v1 · #120931 · protein

Crystal structure of hpxw

5HFT · Gamma-glutamyltranspeptidase: “Crystal structure of hpxw”. X-ray diffraction, 10 pockets (best druggability 0.61). MolNFT v1 #120931 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5HFT
Type: protein
Length: 906 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gamma-glutamyltranspeptidase
UniProt: A6T9C8
Pockets: 10 · best druggability 0.61

Structure

x-ray diffraction · 4 distinct chains · 35% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gamma-glutamyltranspeptidase	protein	305	45% helix, 12% strand	A6T9C8
C	Gamma-glutamyltranspeptidase	protein	298	44% helix, 13% strand	A6T9C8
B	Gamma-glutamyltranspeptidase	protein	149	15% helix, 33% strand	A6T9C8
D	Gamma-glutamyltranspeptidase	protein	154	14% helix, 29% strand	A6T9C8

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	128	0.61	0.85	24	empty
2	286	0.59	0.79	37	empty
3	207	0.57	0.80	32	empty
4	203	0.55	0.79	29	empty
5	212	0.53	0.77	47	empty

Interfaces

5 interfaces between chains.

C–D · 4780 Å² buried · 84 hydrogen bonds · protein-protein
A–B · 4606 Å² buried · 77 hydrogen bonds · protein-protein
A–C · 814 Å² buried · 12 hydrogen bonds · protein-protein
A–D · 312 Å² buried · 2 hydrogen bonds · protein-protein
C–B · 304 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5HFT · Crystal structure of HpxW · the same entry in another collection · chain D against D, TM-score 1.00
A6T9C8 · AlphaFold monomer V2.0 prediction for oxamate amidohydrolase proenzyme (A6T9C8) · a predicted model of the same protein · chain C against A, TM-score 0.94

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 A6T9C8
Elsewhere: RCSB PDB 5HFT · PDBe 5HFT · UniProt A6T9C8

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