MolNFT v1 · #77524 · protein

Crystal structure of the E673A/C707A double mutant of the C-terminal domain of rat 10'FORMYLTETRAHYDROFOLATE dehydrogenase in complex with co-purified NADP

3RHL · Aldehyde dehydrogenase 1 family, member L1: “Crystal structure of the E673A/C707A double mutant of the C-terminal domain of rat 10'FORMYLTETRAHYDROFOLATE…”. X-ray diffraction, 2 ligands (NAP, SO4), 18 pockets (best druggability…

PDB: 3RHL
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 0.85

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Aldehyde dehydrogenase 1 family, member L1	protein	498	42% 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, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	473	0.85	0.92	61	SO4
2	450	0.84	0.91	57	SO4
3	358	0.81	0.91	35	SO4
4	428	0.81	0.89	40	SO4
5	463	0.81	0.89	38	SO4

Interfaces

6 interfaces between chains.

C–D · 2592 Å² buried · 36 hydrogen bonds · protein-protein
A–B · 2531 Å² buried · 38 hydrogen bonds · protein-protein
B–D · 1283 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 1281 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 1138 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3RHL · Crystal structure of the E673A/C707A double mutant of the C-Terminal domain of RAT… · 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 3RHL · PDBe 3RHL · UniProt Q5HZB2

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