MolNFT v1 · #168904 · protein

Crystal structure of AJIA1 in apo form

6WUQ: “Crystal structure of AJIA1 in apo form”. X-ray diffraction, 2 ligands (ZN, MG), 10 pockets (best druggability 0.80). MolNFT v1 #168904 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WUQ
Type: protein
Length: 859 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AJIA1
Ligands: ZN, MG
Pockets: 10 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AJIA1	protein	429	29% helix, 25% strand	—
B	AJIA1	protein	430	30% helix, 25% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1096	0.80	0.81	78	empty
2	1028	0.78	0.80	83	empty
3	339	0.67	0.81	25	empty
4	195	0.53	0.78	32	empty
5	102	0.51	0.83	24	empty

Interfaces

1 interface between chains.

A–B · 4125 Å² buried · 72 hydrogen bonds · protein-protein

Compared structures

6WUQ · Crystal structure of AjiA1 in apo form · 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 6WUQ · PDBe 6WUQ

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