Structure of PDB 3ary Chain A

Receptor sequence

>3aryA (length=575) Species: 669 (Vibrio harveyi)

APTAPSIDMYGSNNLQFSKIELAMETTSGYNDMVKYHELAKIKVKFNQWS
GTSGDTYNVYFDGVKVATGAITGSQTTASFEYGQGGLYQMEIEACDATGC
SKSAPVEITIADTDGSHLKPLTMNVDPNNKSYNTDPSIVMGTYFVEWGIY
GRDYTVDNMPVDNLTHILYGFIPICGPNESVKSVGGNSFNALQTACRGVN
DYEVVIHDPWAAYQKSFPQAGHEYSTPIKGNYAMLMALKQRNPDLKIIPS
IGGWTLSDPFYDFVDKKNRDTFVASVKKFLKTWKFYDGVDIDWEFPGGGG
AAADKGDPVNDGPAYIALMRELRVMLDELEAETGRTYELTSAIGVGYDKI
EDVDYADAVQYMDYIFAMTYDFYGGWNNVPGHQTALYCGSFMRPGQCDGG
GVDENGEPYKGPAYTADNGIQLLLAQGVPANKLVLGTAMYGRGWEGVTPD
TLTDPNDPMTGTATGKLKGSTAQGVWEDGVIDYKGIKSFMLGANNTGING
FEYGYDAQAEAPWVWNRSTGELITFDDHRSVLAKGNYAKSLGLAGLFSWE
IDADNGDILNAMHEGMAGGVVTPPN

3D structure

• PDB: 3ary Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
• Chain: A
• Resolution: 1.35 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D311 D313 E315 Y391
• Catalytic site (residue number reindexed from 1): D290 D292 E294 Y370
• Enzyme Commision number: 3.2.1.14: chitinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	I5I	A	W275 W397	W254 W376	PDBbind-CN: -logKd/Ki=6.00,Kd=1.0uM
BS02	I5I	A	W168 Y171 V205	W147 Y150 V184	PDBbind-CN: -logKd/Ki=6.00,Kd=1.0uM

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0004568 chitinase activity
• GO:0008061 chitin binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006032 chitin catabolic process

External links

• PDB: RCSB:3ary, PDBe:3ary, PDBj:3ary
• PDBsum: 3ary
• PubMed: 21531720
• UniProt: Q9AMP1