Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4L7K

Crystal Structure of Ketosteroid Isomerase D38E from Pseudomonas Testosteroni (tKSI)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004769	molecular_function	steroid delta-isomerase activity
A	0008202	biological_process	steroid metabolic process
A	0016853	molecular_function	isomerase activity
B	0004769	molecular_function	steroid delta-isomerase activity
B	0008202	biological_process	steroid metabolic process
B	0016853	molecular_function	isomerase activity
C	0004769	molecular_function	steroid delta-isomerase activity
C	0008202	biological_process	steroid metabolic process
C	0016853	molecular_function	isomerase activity
D	0004769	molecular_function	steroid delta-isomerase activity
D	0008202	biological_process	steroid metabolic process
D	0016853	molecular_function	isomerase activity
E	0004769	molecular_function	steroid delta-isomerase activity
E	0008202	biological_process	steroid metabolic process
E	0016853	molecular_function	isomerase activity
F	0004769	molecular_function	steroid delta-isomerase activity
F	0008202	biological_process	steroid metabolic process
F	0016853	molecular_function	isomerase activity
G	0004769	molecular_function	steroid delta-isomerase activity
G	0008202	biological_process	steroid metabolic process
G	0016853	molecular_function	isomerase activity
H	0004769	molecular_function	steroid delta-isomerase activity
H	0008202	biological_process	steroid metabolic process
H	0016853	molecular_function	isomerase activity
I	0004769	molecular_function	steroid delta-isomerase activity
I	0008202	biological_process	steroid metabolic process
I	0016853	molecular_function	isomerase activity
J	0004769	molecular_function	steroid delta-isomerase activity
J	0008202	biological_process	steroid metabolic process
J	0016853	molecular_function	isomerase activity
K	0004769	molecular_function	steroid delta-isomerase activity
K	0008202	biological_process	steroid metabolic process
K	0016853	molecular_function	isomerase activity
O	0004769	molecular_function	steroid delta-isomerase activity
O	0008202	biological_process	steroid metabolic process
O	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 201

Chain	Residue
A	GLU38
A	TYR55
A	SER58
A	PHE82
A	VAL84
A	HOH315
O	GLN89

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 202

Chain	Residue
A	HOH335
A	HIS6
A	ARG13

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 203

Chain	Residue
A	HIS122

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 204

Chain	Residue
A	MET1
A	ASN2
A	PRO4
A	VAL74
A	ALA75

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 205

Chain	Residue
A	ALA31
A	ASP32
A	ASP33

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	HIS6
B	ARG13
B	HOH339
B	HOH350
B	HOH375

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 202

Chain	Residue
A	HIS100
A	ARG102
A	ARG113
B	HIS100
B	ARG102
B	ARG113
B	HOH328
B	HOH383

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 203

Chain	Residue
B	ARG45
B	ASN57
B	HOH364

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 204

Chain	Residue
B	ASN104
B	GLY105
B	HOH351

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 205

Chain	Residue
B	GLY47
B	THR48
B	ALA49
B	HOH344

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 206

Chain	Residue
B	GLN89
I	TYR14
I	LEU18
I	GLU38
I	TYR55
I	SER58
I	LEU63

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 207

Chain	Residue
B	GLU70
B	VAL71
B	HOH335
B	HOH347

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	VAL27
C	ARG52

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 202

Chain	Residue
C	HIS100
C	ARG102
C	ARG113
C	HOH343
J	HIS100
J	ARG102
J	ARG113

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 203

Chain	Residue
C	ASN104
C	GLY105
C	HOH328

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 204

Chain	Residue
A	HOH314
C	HIS6
C	ARG13

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 205

Chain	Residue
C	GLY47
C	THR48
C	ALA49
C	HOH369

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 206

Chain	Residue
C	ILE121
C	HIS122
C	ALA123

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 201

Chain	Residue
D	LEU18
D	GLU38
D	PHE54
D	TYR55
D	SER58
D	LEU63
D	HOH306
F	GLN89

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 202

Chain	Residue
D	HIS6
D	ALA9
D	ARG13
D	HOH329

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 203

Chain	Residue
D	ILE121
D	HIS122
D	ALA123
D	HOH345

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 204

Chain	Residue
D	ASN104
D	GLY105
D	HOH303

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 205

Chain	Residue
D	ASP32
D	GLY47
D	THR48
D	ALA49

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 206

Chain	Residue
B	THR48
B	ARG52
D	GLU43
D	HOH359
B	VAL27

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 201

Chain	Residue
D	GLN69
D	GLU70
E	GLN69
E	GLU70

site_id	CC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 E 202

Chain	Residue
E	HIS100
E	ARG102
E	ARG113
E	HOH332
E	HOH355
G	ARG102
G	ARG113

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 203

Chain	Residue
E	HIS6
E	ALA9
E	ARG13

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 204

Chain	Residue
E	ILE121
E	HIS122
E	ALA123

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 205

Chain	Residue
E	GLY47
E	THR48
E	ALA49
E	HOH302

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL F 201

Chain	Residue
F	GLU38
F	TYR55
F	SER58
F	VAL84

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 202

Chain	Residue
F	HIS6
F	ALA9
F	ARG13
F	HOH338
F	HOH362

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 F 203

Chain	Residue
F	HIS100
F	ARG102
F	ARG113
F	HOH324
K	HIS100
K	ARG113

site_id	DC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 F 204

Chain	Residue
F	HIS122
F	ALA123

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 F 205

Chain	Residue
F	ARG102
F	SER111
F	HOH358

site_id	DC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 F 206

Chain	Residue
F	MET1
F	ASN76

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 207

Chain	Residue
F	ASP32
F	ASP33
F	GLY47
F	GLY105
F	HOH328

site_id	EC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 G 201

Chain	Residue
G	HIS6
G	ARG13

site_id	EC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 G 202

Chain	Residue
G	HIS122
G	ALA123
G	GLY124
G	HOH311
G	HOH318
G	HOH356
I	GLN69
I	GLU70

site_id	EC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 G 203

Chain	Residue
G	ASN104
G	GLY105
G	HOH314

site_id	EC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 H 201

Chain	Residue
H	HIS6
H	ARG13

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 202

Chain	Residue
H	ASN104
H	GLY105
H	ALA106
H	HOH353

site_id	EC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 H 203

Chain	Residue
H	LEU18
H	GLU38
H	TYR55
H	SER58
H	LEU63
K	GLN89

site_id	EC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 I 201

Chain	Residue
I	HIS6
I	ARG13

site_id	EC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 I 202

Chain	Residue
D	HIS100
D	ARG113
I	HIS100
I	ARG102
I	ARG113

site_id	EC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 I 203

Chain	Residue
G	GLN12
G	LEU67
G	GLN69
I	HIS122
I	ALA123
I	GLY124

site_id	FC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL J 201

Chain	Residue
J	GLU38
J	PHE54
J	TYR55
J	SER58
J	VAL84
J	HOH302

site_id	FC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 J 202

Chain	Residue
J	HIS6
J	ALA9
J	ARG13
J	HOH324

site_id	FC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 J 203

Chain	Residue
J	ASP32
J	GLY47
J	THR48
J	ALA49

site_id	FC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 K 201

Chain	Residue
E	GLU43
E	HOH323
E	HOH338
K	VAL27
K	THR48
K	ARG52
K	HOH329
K	HOH362

site_id	FC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 K 202

Chain	Residue
K	GLN12
K	GLU70
K	VAL71
K	HOH336
K	HOH381

site_id	FC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 K 203

Chain	Residue
K	ARG45
K	HOH344
K	HOH370

site_id	FC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 K 204

Chain	Residue
K	HIS122
K	ALA123
K	HOH367

site_id	FC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 O 201

Chain	Residue
O	HIS6
O	ALA9
O	ARG13
O	HOH356

site_id	FC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 O 202

Chain	Residue
H	HIS100
H	ARG113
O	HIS100
O	ARG113

site_id	GC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 O 203

Chain	Residue
O	HIS122
O	HOH325

site_id	GC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 O 204

Chain	Residue
O	GLY47
O	THR48
O	ALA49

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: Proton donor

Chain	Residue	Details
A	TYR14
J	TYR14
K	TYR14
O	TYR14
B	TYR14
C	TYR14
D	TYR14
E	TYR14
F	TYR14
G	TYR14
H	TYR14
I	TYR14

site_id	SWS_FT_FI2
Number of Residues	12
Details	ACT_SITE: Proton acceptor => ECO:0000269\|PubMed:3480517

Chain	Residue	Details
A	GLU38
J	GLU38
K	GLU38
O	GLU38
B	GLU38
C	GLU38
D	GLU38
E	GLU38
F	GLU38
G	GLU38
H	GLU38
I	GLU38

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING:

Chain	Residue	Details
A	ASP99
J	ASP99
K	ASP99
O	ASP99
B	ASP99
C	ASP99
D	ASP99
E	ASP99
F	ASP99
G	ASP99
H	ASP99
I	ASP99

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)