5XH2

Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with pNP 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	8
Details	binding site for residue SO4 A 301

Chain	Residue
A	TYR190
A	ARG256
A	THR257
A	HOH480
A	HOH492
A	HOH501
A	HOH523
A	HOH542

---

site_id	AC2
Number of Residues	6
Details	binding site for residue SO4 A 302

Chain	Residue
A	PRO91
A	SER92
A	HOH408
A	HOH435
A	HOH472
A	GLN90

---

site_id	AC3
Number of Residues	7
Details	binding site for residue SO4 A 303

Chain	Residue
A	GLY206
A	SER207
A	SER209
A	CYS210
A	HOH404
A	HOH414
A	HOH578

---

site_id	AC4
Number of Residues	9
Details	binding site for residue SO4 A 304

Chain	Residue
A	ALA60
A	ARG61
A	SER63
A	SER64
A	HOH402
A	HOH543
A	HOH564
A	HOH607
A	HOH611

---

site_id	AC5
Number of Residues	9
Details	binding site for residue NPO A 305

Chain	Residue
A	SER32
A	GLY103
A	GLN104
A	SER107
A	MET132
A	TRP156
A	ILE179
A	HOH497
A	HOH511

---

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

---