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Crystal structure of smchia in complex with 6A

Analyse Crystal structure of smchia in complex with 6A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7FD6
Type: protein
Length: 538 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitinase a
EC: 3.2.1.14
UniProt: A0A1C3HLG1
Ligands: 4QU
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitinase a (EC 3.2.1.14)	protein	538	28% helix, 27% strand	A0A1C3HLG1

Ligands and binding sites

4QU · 11-methyl-3-(pyridin-3-ylmethyl)-4H-pyrimido[5'', 4'':5',6']pyrido[2',3':4,5]pyrimido[1,2-b]pyridine-4, 6(3H)-dione · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	583	0.71	0.79	48	4QU
2	61	0.29	0.74	16	empty
3	67	0.29	0.74	21	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

7FD6 · Crystal structure of SmChiA in complex with 6a · 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 A0A1C3HLG1
Elsewhere: RCSB PDB 7FD6 · PDBe 7FD6 · UniProt A0A1C3HLG1

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