MolNFT v1 · #153219 · protein

Structure of 3,6-anhydro-L-galactose dehydrogenase

6J75 · Aldehyde dehydrogenase a: “Structure of 3,6-anhydro-L-galactose dehydrogenase”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #153219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6J75
Type: protein
Length: 1,908 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase a
EC: 1.2.1.22
UniProt: A0A090SK43
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Aldehyde dehydrogenase a (EC 1.2.1.22)	protein	477	40% helix, 24% strand	A0A090SK43

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	581	0.86	0.91	69	empty
2	184	0.84	0.98	20	empty
3	378	0.84	0.92	73	empty
4	163	0.84	0.98	20	empty
5	325	0.82	0.92	52	empty

Interfaces

6 interfaces between chains.

A–B · 2655 Å² buried · 50 hydrogen bonds · protein-protein
C–D · 2565 Å² buried · 52 hydrogen bonds · protein-protein
A–C · 1110 Å² buried · 11 hydrogen bonds · protein-protein
B–D · 1083 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 1012 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6J75 · Structure of 3,6-anhydro-L-galactose Dehydrogenase · 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 A0A090SK43
Elsewhere: RCSB PDB 6J75 · PDBe 6J75 · UniProt A0A090SK43

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