4JII

Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat

Functional Information from GO Data

Chain	GOid	namespace	contents
X	0001523	biological_process	retinoid metabolic process
X	0001758	molecular_function	retinal dehydrogenase (NAD+) activity
X	0004032	molecular_function	aldose reductase (NADPH) activity
X	0005515	molecular_function	protein binding
X	0005576	cellular_component	extracellular region
X	0005739	cellular_component	mitochondrion
X	0005764	cellular_component	lysosome
X	0005829	cellular_component	cytosol
X	0006629	biological_process	lipid metabolic process
X	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
X	0016488	biological_process	farnesol catabolic process
X	0016491	molecular_function	oxidoreductase activity
X	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
X	0042572	biological_process	retinol metabolic process
X	0044597	biological_process	daunorubicin metabolic process
X	0044598	biological_process	doxorubicin metabolic process
X	0045550	molecular_function	geranylgeranyl reductase activity
X	0047655	molecular_function	allyl-alcohol dehydrogenase activity
X	0047718	molecular_function	indanol dehydrogenase activity
X	0052650	molecular_function	all-trans-retinol dehydrogenase (NADP+) activity
X	0110095	biological_process	cellular detoxification of aldehyde

Functional Information from PDB Data

site_id	AC1
Number of Residues	38
Details	BINDING SITE FOR RESIDUE NAP X 401

Chain	Residue
X	GLY19
X	SER160
X	ASN161
X	GLN184
X	TYR210
X	SER211
X	PRO212
X	LEU213
X	GLY214
X	SER215
X	PRO216
X	THR20
X	ASP217
X	LEU229
X	ALA246
X	ILE261
X	PRO262
X	LYS263
X	SER264
X	VAL265
X	THR266
X	ARG269
X	TRP21
X	GLU272
X	ASN273
X	ZST402
X	HOH529
X	HOH532
X	HOH543
X	HOH562
X	HOH605
X	HOH623
X	LYS22
X	ASP44
X	TYR49
X	LYS78
X	HIS111
X	TRP112

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site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ZST X 402

Chain	Residue
X	TRP21
X	TYR49
X	TRP80
X	HIS111
X	TRP112
X	GLN114
X	PHE116
X	PHE123
X	TRP220
X	CYS299
X	VAL301
X	LEU302
X	SER304
X	TYR310
X	PRO311
X	NAP401
X	HOH607

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA X 403

Chain	Residue
X	HIS188
X	PRO189
X	PRO212
X	LEU249
X	HIS253

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Functional Information from PROSITE/UniProt

site_id	PS00062
Number of Residues	18
Details	ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MeelvdeglVKALGVSNF

Chain	Residue	Details
X	MET145-PHE162

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site_id	PS00063
Number of Residues	16
Details	ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSVTpaRIvENiQV

Chain	Residue	Details
X	ILE261-VAL276

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site_id	PS00798
Number of Residues	18
Details	ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRHIDCAyvyqnEheVG

Chain	Residue	Details
X	GLY39-GLY56

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000269|PubMed:18087047

Chain	Residue	Details
X	TYR49

---

site_id	SWS_FT_FI2
Number of Residues	7
Details	BINDING: BINDING => ECO:0000269|PubMed:18087047

Chain	Residue	Details
X	THR20
X	ASP44
X	HIS111
X	SER160
X	GLN184
X	TYR210
X	ILE261

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Lowers pKa of active site Tyr => ECO:0000250|UniProtKB:P14550

Chain	Residue	Details
X	LYS78

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site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
X	LYS125
X	LYS263

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