Structure of PDB 5wr3 Chain A

Receptor sequence

>5wr3A (length=316) Species: 1422 (Geobacillus stearothermophilus)

ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTL
PGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAI
RSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTD
YTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGD
SLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTH
YGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTS
QEVASVKQAFDAVGVK

3D structure

• PDB: 5wr3 Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
• Chain: A
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H142 E143 H146 Y157 E166 D226 H231
• Catalytic site (residue number reindexed from 1): H142 E143 H146 Y157 E166 D226 H231
• Enzyme Commision number: 3.4.24.27: thermolysin.

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	NX6	A	N112 A113 V139 H142 E143 H146 Y157 E166 I188 H231	N112 A113 V139 H142 E143 H146 Y157 E166 I188 H231
BS02	ZN	A	H142 H146 E166	H142 H146 E166
BS03	CA	A	D57 D59 Q61	D57 D59 Q61
BS04	CA	A	D138 E177 D185 E187 E190	D138 E177 D185 E187 E190
BS05	CA	A	E177 N183 D185 E190	E177 N183 D185 E190
BS06	CA	A	Y193 T194 I197 D200	Y193 T194 I197 D200

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:5wr3, PDBe:5wr3, PDBj:5wr3
• PDBsum: 5wr3
• PubMed: 28777085
• UniProt: P43133|THER_GEOSE Thermolysin (Gene Name=nprS)