5THQ

Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis

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	27
Details	binding site for residue NDP G 301

Chain	Residue
G	GLY16
G	ASP67
G	LEU68
G	ASN94
G	ALA95
G	VAL97
G	ILE142
G	GLY143
G	SER144
G	TYR157
G	LYS161
G	SER18
G	LEU187
G	GLY188
G	VAL189
G	VAL190
G	GLU194
G	HOH423
G	HOH427
G	HOH432
G	ARG19
G	GLY20
G	VAL21
G	TYR40
G	ARG41
G	GLU42
G	ALA66

---

site_id	AC2
Number of Residues	25
Details	binding site for residue NDP B 301

Chain	Residue
B	GLY16
B	SER18
B	ARG19
B	GLY20
B	VAL21
B	ARG41
B	GLU42
B	ALA66
B	ASP67
B	LEU68
B	ASN94
B	ALA95
B	VAL97
B	VAL117
B	ILE142
B	GLY143
B	SER144
B	TYR157
B	LYS161
B	GLY188
B	VAL189
B	VAL190
B	THR192
B	GLU194
B	HOH422

---

site_id	AC3
Number of Residues	22
Details	binding site for residue NDP C 301

Chain	Residue
C	GLY16
C	SER18
C	ARG19
C	GLY20
C	VAL21
C	ARG41
C	GLU42
C	ALA66
C	ASP67
C	LEU68
C	ASN94
C	GLY96
C	VAL97
C	ILE142
C	GLY143
C	SER144
C	TYR157
C	LYS161
C	GLY188
C	VAL189
C	VAL190
C	GLU194

---

site_id	AC4
Number of Residues	25
Details	binding site for residue NDP F 301

Chain	Residue
F	GLY16
F	SER18
F	ARG19
F	GLY20
F	VAL21
F	TYR40
F	ARG41
F	GLU42
F	ALA66
F	ASP67
F	LEU68
F	ASN94
F	ALA95
F	GLY96
F	VAL97
F	VAL117
F	ILE142
F	GLY143
F	SER144
F	TYR157
F	LYS161
F	GLY188
F	VAL189
F	VAL190
F	HOH409

---

site_id	AC5
Number of Residues	30
Details	binding site for residue NDP A 301

Chain	Residue
A	GLY16
A	SER18
A	ARG19
A	GLY20
A	VAL21
A	TYR40
A	ARG41
A	GLU42
A	ALA66
A	ASP67
A	LEU68
A	ASN94
A	ALA95
A	GLY96
A	VAL97
A	VAL117
A	ILE142
A	GLY143
A	SER144
A	TYR157
A	LYS161
A	LEU187
A	GLY188
A	VAL189
A	VAL190
A	THR192
A	HOH413
A	HOH416
A	HOH419
A	HOH445

---

site_id	AC6
Number of Residues	26
Details	binding site for residue NDP E 301

Chain	Residue
E	GLY16
E	SER18
E	ARG19
E	GLY20
E	VAL21
E	TYR40
E	ARG41
E	GLU42
E	ALA66
E	ASP67
E	LEU68
E	ALA69
E	ASN94
E	ALA95
E	VAL97
E	VAL117
E	ILE142
E	GLY143
E	SER144
E	TYR157
E	LYS161
E	GLY188
E	VAL189
E	VAL190
E	THR192
E	HOH407

---

site_id	AC7
Number of Residues	30
Details	binding site for residue NDP H 301

Chain	Residue
H	GLY16
H	SER18
H	ARG19
H	GLY20
H	VAL21
H	ARG41
H	GLU42
H	ALA66
H	ASP67
H	LEU68
H	ASN94
H	ALA95
H	GLY96
H	VAL97
H	VAL117
H	ILE142
H	GLY143
H	SER144
H	TYR157
H	LYS161
H	GLY188
H	VAL189
H	VAL190
H	GLU194
H	HOH401
H	HOH408
H	HOH423
H	HOH426
H	HOH437
H	HOH439

---

site_id	AC8
Number of Residues	27
Details	binding site for residue NDP D 301

Chain	Residue
D	GLY16
D	SER18
D	ARG19
D	GLY20
D	VAL21
D	ARG41
D	GLU42
D	ALA66
D	ASP67
D	LEU68
D	ASN94
D	ALA95
D	GLY96
D	VAL97
D	VAL117
D	ILE142
D	GLY143
D	SER144
D	TYR157
D	LYS161
D	GLY188
D	VAL189
D	VAL190
D	THR192
D	HOH429
D	HOH433
D	HOH440

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
G	SER144-ALA172

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