3SX2

Crystal structure of a putative 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium paratuberculosis in complex with NAD

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
E	0000166	molecular_function	nucleotide binding
E	0016491	molecular_function	oxidoreductase activity
F	0000166	molecular_function	nucleotide binding
F	0016491	molecular_function	oxidoreductase activity
G	0000166	molecular_function	nucleotide binding
G	0016491	molecular_function	oxidoreductase activity
H	0000166	molecular_function	nucleotide binding
H	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD A 300

Chain	Residue
A	GLY18
A	ASP80
A	VAL81
A	ASN107
A	ALA108
A	GLY109
A	ILE110
A	VAL126
A	ILE154
A	SER155
A	TYR173
A	ARG21
A	LYS177
A	PRO203
A	SER204
A	GLY205
A	VAL206
A	THR208
A	PRO209
A	MET210
A	ILE211
A	HOH277
A	GLY22
A	HOH286
A	HOH976
A	GLN23
A	ASP42
A	LEU43
A	LEU54
A	ALA55
A	ALA79

---

site_id	AC2
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NAD B 300

Chain	Residue
B	GLY18
B	ARG21
B	GLY22
B	GLN23
B	ASP42
B	LEU43
B	ALA55
B	ALA79
B	ASP80
B	VAL81
B	ASN107
B	ALA108
B	GLY109
B	ILE110
B	VAL126
B	ILE154
B	SER155
B	TYR173
B	LYS177
B	PRO203
B	SER204
B	GLY205
B	VAL206
B	THR208
B	PRO209
B	MET210
B	HOH280
B	HOH284
B	HOH292
B	HOH878

---

site_id	AC3
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD C 300

Chain	Residue
C	GLY18
C	ARG21
C	GLY22
C	GLN23
C	ASP42
C	LEU43
C	ALA55
C	ALA79
C	ASP80
C	VAL81
C	ASN107
C	ALA108
C	GLY109
C	ILE110
C	VAL126
C	ILE154
C	SER155
C	TYR173
C	LYS177
C	PRO203
C	SER204
C	GLY205
C	VAL206
C	THR208
C	PRO209
C	MET210
C	HOH290
C	HOH303
C	HOH756

---

site_id	AC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD D 300

Chain	Residue
D	ASP80
D	VAL81
D	ASN107
D	ALA108
D	GLY109
D	ILE110
D	VAL126
D	ILE154
D	SER155
D	TYR173
D	LYS177
D	PRO203
D	SER204
D	GLY205
D	VAL206
D	THR208
D	PRO209
D	MET210
D	ILE211
D	HOH279
D	HOH288
D	HOH294
D	GLY18
D	ARG21
D	GLY22
D	GLN23
D	ASP42
D	LEU43
D	LEU54
D	ALA55
D	ALA79

---

site_id	AC5
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD E 300

Chain	Residue
E	GLY18
E	ARG21
E	GLY22
E	GLN23
E	ASP42
E	LEU43
E	ALA55
E	ALA79
E	ASP80
E	VAL81
E	ASN107
E	ALA108
E	GLY109
E	ILE110
E	VAL126
E	SER155
E	TYR173
E	LYS177
E	PRO203
E	SER204
E	GLY205
E	VAL206
E	THR208
E	PRO209
E	MET210
E	HOH296
E	HOH641

---

site_id	AC6
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD F 300

Chain	Residue
F	GLY18
F	ARG21
F	GLN23
F	ASP42
F	LEU43
F	ALA55
F	ALA79
F	ASP80
F	VAL81
F	ASN107
F	ALA108
F	GLY109
F	ILE110
F	VAL126
F	ILE154
F	SER155
F	TYR173
F	LYS177
F	PRO203
F	SER204
F	GLY205
F	VAL206
F	THR208
F	PRO209
F	MET210
F	ILE211
F	HOH281
F	HOH292
F	HOH294

---

site_id	AC7
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD G 300

Chain	Residue
G	GLY18
G	ARG21
G	GLY22
G	GLN23
G	ASP42
G	LEU43
G	LEU54
G	ALA55
G	ALA79
G	ASP80
G	VAL81
G	ASN107
G	ALA108
G	GLY109
G	ILE110
G	VAL126
G	ILE154
G	SER155
G	TYR173
G	LYS177
G	PRO203
G	SER204
G	GLY205
G	VAL206
G	THR208
G	PRO209
G	MET210
G	ILE211
G	HOH283
G	HOH292
G	HOH303
G	HOH879

---

site_id	AC8
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD H 300

Chain	Residue
H	GLY18
H	ARG21
H	GLY22
H	GLN23
H	ASP42
H	LEU43
H	LEU54
H	ALA55
H	ALA79
H	ASP80
H	VAL81
H	ASN107
H	ALA108
H	GLY109
H	ILE110
H	VAL126
H	ILE154
H	SER155
H	TYR173
H	LYS177
H	PRO203
H	SER204
H	GLY205
H	VAL206
H	THR208
H	PRO209
H	MET210
H	HOH277
H	HOH284
H	HOH291
H	HOH1002

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD B 301

Chain	Residue
A	ALA166
A	VAL171
B	TYR132
B	ILE139
B	TYR187
B	HOH556

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD D 302

Chain	Residue
D	ALA111
D	TYR173
D	TRP219
D	HOH297
D	HOH305
D	HOH320
D	HOH1084

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD E 302

Chain	Residue
E	MET195
E	ILE196
E	HOH666
E	HOH1259

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD F 302

Chain	Residue
F	ALA111
F	TYR173
F	TRP219
F	HOH288
F	HOH297
F	HOH317

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD H 301

Chain	Residue
F	GLU218
G	ALA166
G	ASP167
G	VAL171
H	ILE139
H	TYR187
H	HOH305

---

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. LagvgsadpgSvgYVAAKHGVvGLMrVYA

Chain	Residue	Details
A	LEU160-ALA188

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