3OWY

Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound 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
E	0004769	molecular_function	steroid Delta-isomerase activity
E	0006629	biological_process	lipid metabolic process
E	0008202	biological_process	steroid metabolic process
E	0016853	molecular_function	isomerase activity
F	0004769	molecular_function	steroid Delta-isomerase activity
F	0006629	biological_process	lipid metabolic process
F	0008202	biological_process	steroid metabolic process
F	0016853	molecular_function	isomerase activity
G	0004769	molecular_function	steroid Delta-isomerase activity
G	0006629	biological_process	lipid metabolic process
G	0008202	biological_process	steroid metabolic process
G	0016853	molecular_function	isomerase activity
H	0004769	molecular_function	steroid Delta-isomerase activity
H	0006629	biological_process	lipid metabolic process
H	0008202	biological_process	steroid metabolic process
H	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EQU A 200

Chain	Residue
A	TYR16
A	ASN40
A	MET90
A	LEU99
A	ASP103
A	TRP120

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EQU B 200

Chain	Residue
B	PHE86
B	LEU99
B	ASP103
B	TRP120
B	TYR16
B	ASN40
B	GLY60

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EQU C 200

Chain	Residue
C	TYR16
C	ASN40
C	LEU99
C	ASP103
C	MET116
C	TRP120

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EQU D 200

Chain	Residue
D	TYR16
D	ASN40
D	GLY60
D	PHE86
D	ASP103
D	MET116
D	TRP120

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EQU E 200

Chain	Residue
E	TYR16
E	ASN40
E	PHE86
E	LEU99
E	ASP103
E	MET116
E	TRP120

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EQU H 200

Chain	Residue
H	TYR16
H	ASN40
H	PHE86
H	ASP103
H	TRP120

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11007792","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
A	TYR16	proton acceptor, proton donor
A	ASN40	proton acceptor, proton donor
A	ASP100	electrostatic stabiliser
A	ASP103	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
B	TYR16	proton acceptor, proton donor
B	ASN40	proton acceptor, proton donor
B	ASP100	electrostatic stabiliser
B	ASP103	electrostatic stabiliser

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
C	TYR16	proton acceptor, proton donor
C	ASN40	proton acceptor, proton donor
C	ASP100	electrostatic stabiliser
C	ASP103	electrostatic stabiliser

---

site_id	MCSA4
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
D	TYR16	proton acceptor, proton donor
D	ASN40	proton acceptor, proton donor
D	ASP100	electrostatic stabiliser
D	ASP103	electrostatic stabiliser

---

site_id	MCSA5
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
E	TYR16	proton acceptor, proton donor
E	ASN40	proton acceptor, proton donor
E	ASP100	electrostatic stabiliser
E	ASP103	electrostatic stabiliser

---

site_id	MCSA6
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
F	TYR16	proton acceptor, proton donor
F	ASN40	proton acceptor, proton donor
F	ASP100	electrostatic stabiliser
F	ASP103	electrostatic stabiliser

---

site_id	MCSA7
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
G	TYR16	proton acceptor, proton donor
G	ASN40	proton acceptor, proton donor
G	ASP100	electrostatic stabiliser
G	ASP103	electrostatic stabiliser

---

site_id	MCSA8
Number of Residues	4
Details	M-CSA 349

Chain	Residue	Details
H	TYR16	proton acceptor, proton donor
H	ASN40	proton acceptor, proton donor
H	ASP100	electrostatic stabiliser
H	ASP103	electrostatic stabiliser

---