5C81

ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 12min

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009636	biological_process	response to toxic substance
A	0016787	molecular_function	hydrolase activity
B	0009636	biological_process	response to toxic substance
B	0016787	molecular_function	hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue ZFR A 301

Chain	Residue
A	ASP31
A	PRO188
A	ILE191
A	PRO192
A	HIS242
A	PHE243
A	HOH477
A	GLY32
A	SER102
A	LYS130
A	LEU132
A	LEU135
A	MET154
A	TRP183
A	TYR187

---

site_id	AC2
Number of Residues	7
Details	binding site for residue GOL A 302

Chain	Residue
A	GLN78
A	PRO193
A	SER194
A	ALA195
A	GLN198
B	ARG189
B	HOH507

---

site_id	AC3
Number of Residues	2
Details	binding site for residue FMT A 303

Chain	Residue
A	GLU74
A	LYS79

---

site_id	AC4
Number of Residues	4
Details	binding site for residue K A 304

Chain	Residue
A	HIS248
A	PRO249
A	ASP250
A	VAL251

---

site_id	AC5
Number of Residues	15
Details	binding site for residue ZFR B 301

Chain	Residue
B	ASP31
B	GLY32
B	SER102
B	LYS130
B	LEU132
B	LEU135
B	MET154
B	TRP183
B	TYR187
B	PRO188
B	ILE191
B	PRO192
B	HIS242
B	PHE243
B	HOH481

---

site_id	AC6
Number of Residues	4
Details	binding site for residue K B 302

Chain	Residue
B	HIS248
B	PRO249
B	ASP250
B	VAL251

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	360
Details	Domain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"28695844","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2014","firstPage":"62321","lastPage":"62325","volume":"4","journal":"RSC Adv.","title":"Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea.","authors":["Peng W.","Ko T.P.","Yang Y.","Zheng Y.","Chen C.C.","Zhu Z.","Huang C.H.","Zeng Y.F.","Huang J.W.","Wand A.H.-J.","Liu J.R.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1039/c4ra12111b"}]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2014","firstPage":"62321","lastPage":"62325","volume":"4","journal":"RSC Adv.","title":"Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea.","authors":["Peng W.","Ko T.P.","Yang Y.","Zheng Y.","Chen C.C.","Zhu Z.","Huang C.H.","Zeng Y.F.","Huang J.W.","Wand A.H.-J.","Liu J.R.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1039/c4ra12111b"}]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28695844","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2014","firstPage":"62321","lastPage":"62325","volume":"4","journal":"RSC Adv.","title":"Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea.","authors":["Peng W.","Ko T.P.","Yang Y.","Zheng Y.","Chen C.C.","Zhu Z.","Huang C.H.","Zeng Y.F.","Huang J.W.","Wand A.H.-J.","Liu J.R.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1039/c4ra12111b"}]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2016","firstPage":"7657","lastPage":"7663","volume":"6","journal":"ACS Catal.","title":"Enhanced alpha-zearalenol hydrolyzing activity of a mycoestrogen-detoxifying lactonase by structure-based engineering.","authors":["Xu Z.X.","Liu W.D.","Chen C.C.","Li Q.","Huang J.W.","Ko T.P.","Liu G.","Liu W.","Peng W.","Cheng Y.S.","Chen Y.","Jin J.","Li H.","Zheng Y.Y.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/acscatal.6b01826"}]}},{"source":"PDB","id":"3WZM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5C7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUN-2015","submissionDatabase":"PDB data bank","title":"A case study of lactonase ZHD.","authors":["Ming D.-M.","Qi Q.","Yang W.-J.","Sun K.-L.","Xu T.-Y.","Huang Q.","Hu X.-J.","Lv H."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2019","submissionDatabase":"PDB data bank","title":"Structure of ZHD complex.","authors":["Hu X.J.","Zhou H.J.","Li L."]}},{"source":"PDB","id":"5C7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6JRD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2014","firstPage":"62321","lastPage":"62325","volume":"4","journal":"RSC Adv.","title":"Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea.","authors":["Peng W.","Ko T.P.","Yang Y.","Zheng Y.","Chen C.C.","Zhu Z.","Huang C.H.","Zeng Y.F.","Huang J.W.","Wand A.H.-J.","Liu J.R.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1039/c4ra12111b"}]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2016","firstPage":"7657","lastPage":"7663","volume":"6","journal":"ACS Catal.","title":"Enhanced alpha-zearalenol hydrolyzing activity of a mycoestrogen-detoxifying lactonase by structure-based engineering.","authors":["Xu Z.X.","Liu W.D.","Chen C.C.","Li Q.","Huang J.W.","Ko T.P.","Liu G.","Liu W.","Peng W.","Cheng Y.S.","Chen Y.","Jin J.","Li H.","Zheng Y.Y.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/acscatal.6b01826"}]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2019","submissionDatabase":"PDB data bank","title":"Structure of ZHD complex.","authors":["Hu X.J.","Zhou H.J.","Li L."]}},{"source":"PDB","id":"3WZM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6JRD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUN-2015","submissionDatabase":"PDB data bank","title":"A case study of lactonase ZHD.","authors":["Ming D.-M.","Qi Q.","Yang W.-J.","Sun K.-L.","Xu T.-Y.","Huang Q.","Hu X.-J.","Lv H."]}},{"source":"PDB","id":"5C7Y","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2019","submissionDatabase":"PDB data bank","title":"Structure of ZHD complex.","authors":["Hu X.J.","Zhou H.J.","Li L."]}},{"source":"PDB","id":"6JRD","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2014","firstPage":"62321","lastPage":"62325","volume":"4","journal":"RSC Adv.","title":"Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea.","authors":["Peng W.","Ko T.P.","Yang Y.","Zheng Y.","Chen C.C.","Zhu Z.","Huang C.H.","Zeng Y.F.","Huang J.W.","Wand A.H.-J.","Liu J.R.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1039/c4ra12111b"}]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"2016","firstPage":"7657","lastPage":"7663","volume":"6","journal":"ACS Catal.","title":"Enhanced alpha-zearalenol hydrolyzing activity of a mycoestrogen-detoxifying lactonase by structure-based engineering.","authors":["Xu Z.X.","Liu W.D.","Chen C.C.","Li Q.","Huang J.W.","Ko T.P.","Liu G.","Liu W.","Peng W.","Cheng Y.S.","Chen Y.","Jin J.","Li H.","Zheng Y.Y.","Guo R.T."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/acscatal.6b01826"}]}},{"source":"PDB","id":"3WZM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IE6","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---