1HQT

THE CRYSTAL STRUCTURE OF AN ALDEHYDE REDUCTASE Y50F MUTANT-NADP COMPLEX AND ITS IMPLICATIONS FOR SUBSTRATE BINDING

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004032	molecular_function	aldose reductase (NADPH) activity
A	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006629	biological_process	lipid metabolic process
A	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
A	0016324	cellular_component	apical plasma membrane
A	0016491	molecular_function	oxidoreductase activity
A	0019853	biological_process	L-ascorbic acid biosynthetic process
A	0042840	biological_process	D-glucuronate catabolic process
A	0046185	biological_process	aldehyde catabolic process
A	0047655	molecular_function	allyl-alcohol dehydrogenase activity
A	0047939	molecular_function	L-glucuronate reductase activity
A	0047941	molecular_function	glucuronolactone reductase activity
A	0047956	molecular_function	glycerol dehydrogenase (NADP+) activity
A	0110095	biological_process	cellular detoxification of aldehyde
A	0160163	molecular_function	S-nitrosoglutathione reductase (NADPH) activity
A	1990002	molecular_function	methylglyoxal reductase (NADPH) (acetol producing) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NAP A 350

Chain	Residue
A	GLY20
A	TYR210
A	SER211
A	PRO212
A	LEU213
A	GLY214
A	SER215
A	SER216
A	ALA246
A	ILE261
A	PRO262
A	THR21
A	LYS263
A	SER264
A	VAL265
A	THR266
A	ARG269
A	ASN273
A	HOH411
A	HOH458
A	HOH471
A	HOH549
A	TRP22
A	HOH644
A	ASP45
A	LYS80
A	HIS113
A	SER162
A	ASN163
A	GLN184

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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. LealvakglVRALGLSNF

Chain	Residue	Details
A	LEU147-PHE164

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

Chain	Residue	Details
A	ILE261-VAL276

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

Chain	Residue	Details
A	GLY40-GLY57

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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:11306083, ECO:0000269|PubMed:7552731

Chain	Residue	Details
A	PHE50

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site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000250|UniProtKB:O60218

Chain	Residue	Details
A	GLY11

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site_id	SWS_FT_FI3
Number of Residues	15
Details	BINDING: BINDING => ECO:0000269|PubMed:11306083, ECO:0007744|PDB:1HQT

Chain	Residue	Details
A	THR21
A	LYS263
A	SER264
A	VAL265
A	THR266
A	ARG269
A	ASN273
A	TRP22
A	ASP45
A	SER162
A	ASN163
A	SER211
A	LEU213
A	SER215
A	SER216

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:11306083, ECO:0007744|PDB:3CV7

Chain	Residue	Details
A	GLN272

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site_id	SWS_FT_FI5
Number of Residues	1
Details	SITE: Lowers pKa of active site Tyr => ECO:0000250|UniProtKB:P14550

Chain	Residue	Details
A	LYS80

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site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: N-acetylalanine => ECO:0000250|UniProtKB:P14550

Chain	Residue	Details
A	ALA2

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site_id	SWS_FT_FI7
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P51635

Chain	Residue	Details
A	SER4

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site_id	SWS_FT_FI8
Number of Residues	1
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q9JII6

Chain	Residue	Details
A	LYS127

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site_id	SWS_FT_FI9
Number of Residues	1
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q9JII6

Chain	Residue	Details
A	LYS145

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site_id	SWS_FT_FI10
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P14550

Chain	Residue	Details
A	SER211

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
A	LYS80
A	PHE50

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