4C4O

Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0005737	cellular_component	cytoplasm
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0005737	cellular_component	cytoplasm
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0005737	cellular_component	cytoplasm
C	0008270	molecular_function	zinc ion binding
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0005737	cellular_component	cytoplasm
D	0008270	molecular_function	zinc ion binding
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 500

Chain	Residue
A	HIS65
A	GLU66
A	ASP154
A	HOH2003

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 600

Chain	Residue
A	CYS95
A	CYS98
A	CYS101
A	CYS109

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE NAD A 1000

Chain	Residue
A	GLY180
A	GLY181
A	LEU182
A	ASP201
A	LYS202
A	LYS203
A	ALA206
A	PHE237
A	GLY261
A	LEU262
A	HOH2038
A	GLY178

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 499

Chain	Residue
B	CYS44
B	HIS65
B	GLU66
B	ASP154
B	ARG331
B	ZN500

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 500

Chain	Residue
B	CYS44
B	HIS65
B	ASP154
B	ZN499
B	NAD1000
B	HOH2012

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 600

Chain	Residue
B	CYS95
B	CYS98
B	CYS101
B	CYS109

---

site_id	AC7
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD B 1000

Chain	Residue
B	HIS45
B	SER46
B	HIS49
B	ASP154
B	THR158
B	GLY180
B	GLY181
B	LEU182
B	ASP201
B	LYS202
B	LYS203
B	ALA206
B	PHE237
B	VAL238
B	VAL260
B	GLY261
B	LEU262
B	SER284
B	PHE285
B	TRP286
B	LEU323
B	ASN326
B	ARG331
B	ZN500
B	HOH2012
B	HOH2055
B	HOH2056
B	HOH2062
B	HOH2074
B	HOH2075
B	HOH2100
B	HOH2102

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 500

Chain	Residue
C	HIS65
C	GLU66
C	ASP154
C	HOH2003

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 600

Chain	Residue
C	CYS95
C	CYS98
C	CYS101
C	CYS109

---

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE NAD C 1000

Chain	Residue
C	THR158
C	GLY180
C	GLY181
C	LEU182
C	ASP201
C	LYS202
C	LYS203
C	ALA206
C	PHE237
C	VAL238
C	VAL260
C	GLY261
C	LEU262
C	SER284
C	PHE285
C	TRP286
C	HOH2020

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 500

Chain	Residue
D	HIS65
D	GLU66
D	ASP154
D	HOH2001

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 600

Chain	Residue
D	CYS101
D	CYS109
D	CYS95
D	CYS98

---

site_id	BC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE NAD D 1000

Chain	Residue
D	THR158
D	GLY180
D	GLY181
D	LEU182
D	ASP201
D	LYS202
D	LYS203
D	PHE237
D	VAL238
D	VAL260
D	GLY261
D	LEU262
D	SER284
D	PHE285
D	TRP286
D	HOH2034

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO C 1337

Chain	Residue
C	ASP245
C	LYS249

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C 1338

Chain	Residue
C	ALA166
C	SER172
C	SER232
C	ALA233
C	HOH2026

---

site_id	BC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EDO B 1337

Chain	Residue
B	ALA179
B	GLY180
B	GLY181
B	GLY184
B	ASN185
B	GLN209
B	VAL307
B	GLY330
B	HOH2054
B	HOH2057
B	HOH2058

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 1338

Chain	Residue
B	THR171
B	SER172
B	ASN173
B	SER230
B	SER232
B	GLU252

---

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 1339

Chain	Residue
A	LEU276
B	ASN107
B	VAL108
B	CYS109
B	PHE113

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1337

Chain	Residue
A	PRO223
A	GLU224
A	ILE226
A	LYS249
A	TYR250

---

Functional Information from PROSITE/UniProt

site_id	PS00059
Number of Residues	15
Details	ADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEiAGTvaavGddV

Chain	Residue	Details
A	GLY64-VAL78

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