MolNFT v1 · #108805 · protein

Crystal structure of DCOH2 S51T

4WIL · Pterin-4-alpha-carbinolamine dehydratase 2: “Crystal structure of DCOH2 S51T”. X-ray diffraction, 1 pocket (best druggability 0.33). MolNFT v1 #108805 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WIL
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pterin-4-alpha-carbinolamine dehydratase 2
EC: 4.2.1.96
UniProt: Q9CZL5
Pockets: 1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pterin-4-alpha-carbinolamine dehydratase 2 (EC 4.2.1.96)	protein	100	45% helix, 23% strand	Q9CZL5
B	Pterin-4-alpha-carbinolamine dehydratase 2 (EC 4.2.1.96)	protein	98	46% helix, 23% strand	Q9CZL5

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	54	0.33	0.78	13	empty

Interfaces

1 interface between chains.

A–B · 724 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4WIL · Crystal structure of DCoH2 S51T · the same entry in another collection · chain A against A, TM-score 1.00
Q9CZL5 · AlphaFold monomer V2.0 prediction for pterin-4-alpha-carbinolamine dehydratase 2 (Q9CZL5) · a predicted model of the same protein · chain B 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 Q9CZL5
Elsewhere: RCSB PDB 4WIL · PDBe 4WIL · UniProt Q9CZL5

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