4GAB

Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001523	biological_process	retinoid metabolic process
A	0001758	molecular_function	retinal dehydrogenase activity
A	0004032	molecular_function	aldose reductase (NADPH) activity
A	0004033	molecular_function	aldo-keto reductase (NADPH) activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005764	cellular_component	lysosome
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
A	0016488	biological_process	farnesol catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0042572	biological_process	retinol metabolic process
A	0044597	biological_process	daunorubicin metabolic process
A	0044598	biological_process	doxorubicin metabolic process
A	0045550	molecular_function	geranylgeranyl reductase activity
A	0047655	molecular_function	allyl-alcohol dehydrogenase activity
A	0047718	molecular_function	indanol dehydrogenase activity
A	0052650	molecular_function	all-trans-retinol dehydrogenase (NADP+) activity
A	0110095	biological_process	cellular detoxification of aldehyde

Functional Information from PDB Data

site_id	AC1
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAP A 401

Chain	Residue
A	GLY19
A	GLN184
A	TYR210
A	SER211
A	PRO212
A	LEU213
A	GLY214
A	SER215
A	PRO216
A	ASP217
A	ALA246
A	THR20
A	ILE261
A	PRO262
A	LYS263
A	SER264
A	VAL265
A	THR266
A	ARG269
A	GLU272
A	ASN273
A	FID402
A	TRP21
A	HOH536
A	HOH560
A	HOH571
A	HOH600
A	HOH613
A	HOH682
A	LYS22
A	ASP44
A	TYR49
A	HIS111
A	SER160
A	ASN161

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FID A 402

Chain	Residue
A	TRP21
A	VAL48
A	TYR49
A	TRP80
A	HIS111
A	TRP112
A	PHE123
A	TRP220
A	CYS299
A	ASN300
A	LEU301
A	NAP401
A	HOH542

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL A 403

Chain	Residue
A	ALA46
A	TYR47
A	VAL48
A	LYS78
A	TRP80
A	HIS111

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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
A	MET145-PHE162

---

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

Chain	Residue	Details
A	ILE261-VAL276

---

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

Chain	Residue	Details
A	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
A	TYR49

---

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

Chain	Residue	Details
A	THR20
A	ASP44
A	HIS111
A	SER160
A	GLN184
A	TYR210
A	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
A	LYS78

---

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

Chain	Residue	Details
A	LYS125
A	LYS263

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