3LQF

Crystal structure of the short-chain dehydrogenase Galactitol-Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD and erythritol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 255

Chain	Residue
A	TRP254
A	HOH317
A	HOH336
A	HOH344
B	TRP254
B	HOH301

---

site_id	AC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD A 257

Chain	Residue
A	ILE23
A	ASP42
A	ARG43
A	ALA65
A	ASP66
A	VAL67
A	SER92
A	LEU142
A	GLY143
A	SER144
A	TYR159
A	LYS163
A	PRO189
A	GLY190
A	VAL192
A	THR194
A	GLU195
A	MET196
A	THR197
A	MRY258
A	HOH324
A	HOH334
A	HOH424
A	HOH436
A	GLY18
A	SER21
A	GLY22

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MRY A 258

Chain	Residue
A	ALA96
A	ASN151
A	GLN154
A	TYR191
A	THR197
A	MET200
A	NAD257
A	HOH436

---

site_id	AC4
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD B 257

Chain	Residue
B	SER21
B	GLY22
B	ILE23
B	ASP42
B	ARG43
B	GLU44
B	ALA65
B	ASP66
B	VAL67
B	SER92
B	ALA93
B	GLY94
B	LEU142
B	GLY143
B	SER144
B	TYR159
B	LYS163
B	GLY190
B	VAL192
B	THR194
B	MET196
B	THR197
B	MRY258
B	HOH319
B	HOH371
B	HOH399
B	HOH419

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MRY B 258

Chain	Residue
B	ALA96
B	LEU98
B	GLN154
B	TYR159
B	TYR191
B	NAD257

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 255

Chain	Residue
C	TRP254
C	HOH339
D	TRP254
D	HOH307
D	HOH327
D	HOH339

---

site_id	AC7
Number of Residues	26
Details	BINDING SITE FOR RESIDUE NAD C 257

Chain	Residue
C	MET196
C	THR197
C	MRY258
C	HOH360
C	HOH369
C	HOH415
C	HOH416
C	SER21
C	GLY22
C	ILE23
C	ASP42
C	ARG43
C	ALA65
C	ASP66
C	VAL67
C	SER92
C	GLY94
C	LEU142
C	GLY143
C	SER144
C	TYR159
C	LYS163
C	PRO189
C	GLY190
C	VAL192
C	THR194

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MRY C 258

Chain	Residue
C	GLN154
C	TYR159
C	MET196
C	THR197
C	MET200
C	NAD257
C	HOH416

---

site_id	AC9
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD D 257

Chain	Residue
D	SER21
D	GLY22
D	ILE23
D	ASP42
D	ARG43
D	ALA65
D	ASP66
D	VAL67
D	SER92
D	ALA93
D	GLY94
D	LEU142
D	GLY143
D	SER144
D	TYR159
D	LYS163
D	GLY190
D	VAL192
D	THR194
D	MET196
D	THR197
D	MRY258
D	HOH326
D	HOH363

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MRY D 258

Chain	Residue
D	GLN154
D	NAD257

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"20410293","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20410293","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WDZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WSB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LQF","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---