3MYT

Crystal structure of Ketosteroid Isomerase D38HD99N from Pseudomonas testosteroni (tKSI)

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	12
Details	BINDING SITE FOR RESIDUE EQU A 127

Chain	Residue
A	PHE116
D	TYR88
D	GLN89
D	ARG91
D	HOH134
A	TYR14
A	HIS38
A	VAL84
A	PHE86
A	VAL95
A	PRO97
A	ASN99

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 128

Chain	Residue
A	GLN89
D	TYR14
D	PHE54
D	SER58
D	VAL84
D	MET112
D	HOH150

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 126

Chain	Residue
A	HOH413
B	HIS6
B	ARG13
B	HOH371

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 127

Chain	Residue
B	ASN104
B	GLY105
B	HOH156

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 128

Chain	Residue
B	ARG102
B	SER111
B	HOH416

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EQU B 129

Chain	Residue
B	GLN89
B	HOH277
C	TYR14
C	LEU18
C	HIS38
C	PHE54
C	VAL84
C	PHE86
C	ASN99
C	MET112
C	PHE116

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 130

Chain	Residue
B	ASN2
B	PRO4
B	ALA73
B	VAL74
B	ALA75
B	HOH396
D	HOH417

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 126

Chain	Residue
C	ARG45
C	GLU53
C	PHE54
C	ASN57

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 127

Chain	Residue
B	ARG91
B	HOH400
C	ARG91
C	THR93
C	ALA123
C	HOH143

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 128

Chain	Residue
C	HIS122
C	ALA123

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 129

Chain	Residue
A	HIS100
C	HIS100
C	ARG102
C	ARG113

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 130

Chain	Residue
C	MET1
C	ASN76

---

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EQU C 131

Chain	Residue
B	TYR14
B	HIS38
B	PHE54
B	PHE86
B	VAL95
B	ASN99
B	PHE116
C	TYR88
C	GLN89
C	ARG91
C	HOH399

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 132

Chain	Residue
C	ASP24
C	VAL27
C	ALA28
C	ARG52
D	GLU43

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 126

Chain	Residue
D	HIS6
D	ARG13
D	SO4131
D	GOL132
D	HOH162

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 127

Chain	Residue
D	ASN104
D	GLY105
D	HOH159

---

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 128

Chain	Residue
D	HIS122
D	ALA123

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 129

Chain	Residue
B	ARG113
D	HIS100
D	ARG102
D	ARG113

---

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 130

Chain	Residue
D	MET1
D	ASN76

---

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 131

Chain	Residue
D	ALA9
D	ARG13
D	ASN19
D	SO4126
D	HOH164
D	HOH290

---

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 132

Chain	Residue
D	ALA9
D	ASN19
D	LEU63
D	ALA64
D	VAL65
D	SO4126

---

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

---