3OV4

Crystal Structure of Ketosteroid Isomerase P39GV40GS42G from Pseudomonas Testosteroni (tKSI) bound to Equilenin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004769	molecular_function	steroid Delta-isomerase activity
A	0006629	biological_process	lipid metabolic process
A	0008202	biological_process	steroid metabolic process
A	0016853	molecular_function	isomerase activity
B	0004769	molecular_function	steroid Delta-isomerase activity
B	0006629	biological_process	lipid metabolic process
B	0008202	biological_process	steroid metabolic process
B	0016853	molecular_function	isomerase activity
C	0004769	molecular_function	steroid Delta-isomerase activity
C	0006629	biological_process	lipid metabolic process
C	0008202	biological_process	steroid metabolic process
C	0016853	molecular_function	isomerase activity
D	0004769	molecular_function	steroid Delta-isomerase activity
D	0006629	biological_process	lipid metabolic process
D	0008202	biological_process	steroid metabolic process
D	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 126

Chain	Residue
A	HIS6
A	ARG13

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 127

Chain	Residue
A	GLY105
A	HOH152
A	HOH409

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 128

Chain	Residue
A	ILE121
A	HIS122
A	HOH519
A	HOH544

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EQU A 129

Chain	Residue
A	TYR14
A	ASP38
A	PHE86
A	ASP99
A	PHE116
A	HOH138
D	TYR88
D	GLN89
D	ARG91

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 126

Chain	Residue
B	ASN104
B	GLY105

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 127

Chain	Residue
B	ARG91
B	THR93
B	ALA123
B	HOH520
B	HOH553
C	ARG91
C	ALA123
C	HOH147

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 128

Chain	Residue
B	HIS6
B	ARG13
B	HOH274
B	HOH474

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 129

Chain	Residue
B	HIS122
B	ALA123
B	HOH623

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EQU B 130

Chain	Residue
B	TYR14
B	PHE86
B	VAL95
B	ASP99
B	PHE116
B	HOH135
B	HOH554
C	GLN89

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 126

Chain	Residue
A	HOH523
C	HIS6
C	ARG13

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 127

Chain	Residue
C	ASN104
C	GLY105
C	HOH267

---

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EQU C 128

Chain	Residue
B	GLN89
B	ARG91
C	TYR14
C	PHE86
C	VAL95
C	ASP99
C	MET112
C	PHE116
C	HOH130

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 126

Chain	Residue
D	HIS6
D	ARG13
D	HOH255
D	HOH383

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 127

Chain	Residue
D	ASN104
D	GLY105
D	HOH156

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 128

Chain	Residue
D	MET1
D	ASN76
D	HOH470

---

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 129

Chain	Residue
D	HIS122
D	ALA123

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"3480517","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

---