MolNFT v1 · #175824 · protein

Crystal structure of agrobacterium tumefaciens aconitase X mutant - S449C/C510V

7D2R · Cis-3-hydroxy-L-proline dehydratase: “Crystal structure of agrobacterium tumefaciens aconitase X mutant - S449C/C510V”. X-ray diffraction, 2 ligands (FES, NA), 5 pockets (best druggability 0.70). MolNFT v1 #175824 on GenesisL1: 3D…

PDB: 7D2R
Type: protein
Length: 558 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cis-3-hydroxy-L-proline dehydratase
Ligands: FES, NA
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cis-3-hydroxy-L-proline dehydratase	protein	558	36% helix, 18% strand	—

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · chains A
NA · Sodium ion · metal · chains A
GOL · Glycerol · additive · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	50	0.70	0.98	22	FES, GOL
2	248	0.62	0.81	26	empty
3	114	0.60	0.86	28	empty
4	207	0.52	0.77	26	empty
5	94	0.37	0.75	24	empty

Compared structures

7D2R · Crystal structure of Agrobacterium tumefaciens aconitase X mutant - S449C/C510V · 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
Elsewhere: RCSB PDB 7D2R · PDBe 7D2R

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