5XH3

Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with HEMT from Ideonella sakaiensis 201-F6

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005576	cellular_component	extracellular region
A	0008126	molecular_function	acetylesterase activity
A	0016787	molecular_function	hydrolase activity
A	0042178	biological_process	xenobiotic catabolic process
A	0052689	molecular_function	carboxylic ester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue 856 A 301

Chain	Residue
A	SER32
A	ILE179
A	HIS208
A	HOH617
A	HOH630
A	GLY57
A	TYR58
A	GLN104
A	SER107
A	TRP130
A	ALA131
A	MET132
A	TRP156

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 302

Chain	Residue
A	TYR3
A	ARG124
A	LYS148
A	ASN235

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 303

Chain	Residue
A	ASN183
A	SER249
A	THR250
A	HOH401

---

site_id	AC4
Number of Residues	6
Details	binding site for residue GOL A 304

Chain	Residue
A	THR59
A	SER95
A	MET99
A	ASN143
A	ASN144
A	HOH433

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"29235460","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29374183","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29603535","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29666242","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"29235460","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29374183","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29603535","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29666242","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29235460","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29235460","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29666242","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---