MolNFT v1 · #135441 · protein

Crystal structure of curj dehydratase H978F inactive mutant in complex with compound 21

5TZ6: “Crystal structure of curj dehydratase H978F inactive mutant in complex with compound 21”. X-ray diffraction, 1 ligand (7OD), 5 pockets (best druggability 0.78). MolNFT v1 #135441 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5TZ6
Type: protein
Length: 571 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Curj
UniProt: F4Y426
Ligands: 7OD
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Curj	protein	290	20% helix, 42% strand	F4Y426
B	Curj	protein	281	20% helix, 44% strand	F4Y426

Ligands and binding sites

7OD · (2E,5R)-5-hydroxy-2-methylhept-2-enoic acid · ligand · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	231	0.78	0.91	35	7OD
2	244	0.78	0.90	36	empty
3	52	0.51	0.88	17	empty
4	99	0.38	0.76	22	empty
5	116	0.38	0.74	24	empty

Interfaces

1 interface between chains.

A–B · 788 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5TZ6 · Crystal Structure of CurJ Dehydratase H978F Inactive Mutant In Complex with Compound 21 · 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 F4Y426
Elsewhere: RCSB PDB 5TZ6 · PDBe 5TZ6 · UniProt F4Y426

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