MolNFT v1 · #77529 · protein

Crystal structure of the C707A mutant of C-terminal domain of 10'FORMYLTETRAHYDROFOLATE dehydrogenase in complex with NADP

3RHQ · Aldehyde dehydrogenase 1 family, member L1: “Crystal structure of the C707A mutant of C-terminal domain of 10'FORMYLTETRAHYDROFOLATE dehydrogenase in…”. X-ray diffraction, 2 ligands (NAP, SO4), 18 pockets (best druggability 0.87).…

PDB: 3RHQ
Type: protein
Length: 1,992 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde dehydrogenase 1 family, member L1
UniProt: Q5HZB2
Ligands: NAP, SO4
Pockets: 18 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Aldehyde dehydrogenase 1 family, member L1	protein	498	41% helix, 23% strand	Q5HZB2

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
SO4 · Sulfate ion · ion · 28 copies · chains A, B, C, D
GOL · Glycerol · additive · 4 copies · chains A, B, C, D

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

Pockets

18 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	725	0.87	0.91	95	SO4
2	365	0.83	0.92	42	SO4
3	765	0.82	0.85	62	SO4
4	406	0.81	0.90	37	SO4
5	422	0.81	0.89	37	SO4

Interfaces

6 interfaces between chains.

C–D · 2578 Å² buried · 35 hydrogen bonds · protein-protein
A–B · 2556 Å² buried · 37 hydrogen bonds · protein-protein
B–D · 1281 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 1271 Å² buried · 19 hydrogen bonds · protein-protein
B–C · 1143 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3RHQ · Crystal structure of the C707A mutant of C-Terminal domain of 10'FORMYLTETRAHYDROFOLATE… · 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 Q5HZB2
Elsewhere: RCSB PDB 3RHQ · PDBe 3RHQ · UniProt Q5HZB2

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