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2IRW

Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0005496molecular_functionsteroid binding
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0006629biological_processlipid metabolic process
A0006706biological_processsteroid catabolic process
A0006713biological_processglucocorticoid catabolic process
A0008202biological_processsteroid metabolic process
A0016020cellular_componentmembrane
A0016491molecular_functionoxidoreductase activity
A0042803molecular_functionprotein homodimerization activity
A0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
A0050661molecular_functionNADP binding
A0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
A0102196molecular_functioncortisol dehydrogenase (NADP+) activity
B0005496molecular_functionsteroid binding
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0006629biological_processlipid metabolic process
B0006706biological_processsteroid catabolic process
B0006713biological_processglucocorticoid catabolic process
B0008202biological_processsteroid metabolic process
B0016020cellular_componentmembrane
B0016491molecular_functionoxidoreductase activity
B0042803molecular_functionprotein homodimerization activity
B0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
B0050661molecular_functionNADP binding
B0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
B0102196molecular_functioncortisol dehydrogenase (NADP+) activity
C0005496molecular_functionsteroid binding
C0005783cellular_componentendoplasmic reticulum
C0005789cellular_componentendoplasmic reticulum membrane
C0006629biological_processlipid metabolic process
C0006706biological_processsteroid catabolic process
C0006713biological_processglucocorticoid catabolic process
C0008202biological_processsteroid metabolic process
C0016020cellular_componentmembrane
C0016491molecular_functionoxidoreductase activity
C0042803molecular_functionprotein homodimerization activity
C0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
C0050661molecular_functionNADP binding
C0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
C0102196molecular_functioncortisol dehydrogenase (NADP+) activity
D0005496molecular_functionsteroid binding
D0005783cellular_componentendoplasmic reticulum
D0005789cellular_componentendoplasmic reticulum membrane
D0006629biological_processlipid metabolic process
D0006706biological_processsteroid catabolic process
D0006713biological_processglucocorticoid catabolic process
D0008202biological_processsteroid metabolic process
D0016020cellular_componentmembrane
D0016491molecular_functionoxidoreductase activity
D0042803molecular_functionprotein homodimerization activity
D0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
D0050661molecular_functionNADP binding
D0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
D0102196molecular_functioncortisol dehydrogenase (NADP+) activity
E0005496molecular_functionsteroid binding
E0005783cellular_componentendoplasmic reticulum
E0005789cellular_componentendoplasmic reticulum membrane
E0006629biological_processlipid metabolic process
E0006706biological_processsteroid catabolic process
E0006713biological_processglucocorticoid catabolic process
E0008202biological_processsteroid metabolic process
E0016020cellular_componentmembrane
E0016491molecular_functionoxidoreductase activity
E0042803molecular_functionprotein homodimerization activity
E0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
E0050661molecular_functionNADP binding
E0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
E0102196molecular_functioncortisol dehydrogenase (NADP+) activity
F0005496molecular_functionsteroid binding
F0005783cellular_componentendoplasmic reticulum
F0005789cellular_componentendoplasmic reticulum membrane
F0006629biological_processlipid metabolic process
F0006706biological_processsteroid catabolic process
F0006713biological_processglucocorticoid catabolic process
F0008202biological_processsteroid metabolic process
F0016020cellular_componentmembrane
F0016491molecular_functionoxidoreductase activity
F0042803molecular_functionprotein homodimerization activity
F0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
F0050661molecular_functionNADP binding
F0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
F0102196molecular_functioncortisol dehydrogenase (NADP+) activity
G0005496molecular_functionsteroid binding
G0005783cellular_componentendoplasmic reticulum
G0005789cellular_componentendoplasmic reticulum membrane
G0006629biological_processlipid metabolic process
G0006706biological_processsteroid catabolic process
G0006713biological_processglucocorticoid catabolic process
G0008202biological_processsteroid metabolic process
G0016020cellular_componentmembrane
G0016491molecular_functionoxidoreductase activity
G0042803molecular_functionprotein homodimerization activity
G0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
G0050661molecular_functionNADP binding
G0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
G0102196molecular_functioncortisol dehydrogenase (NADP+) activity
H0005496molecular_functionsteroid binding
H0005783cellular_componentendoplasmic reticulum
H0005789cellular_componentendoplasmic reticulum membrane
H0006629biological_processlipid metabolic process
H0006706biological_processsteroid catabolic process
H0006713biological_processglucocorticoid catabolic process
H0008202biological_processsteroid metabolic process
H0016020cellular_componentmembrane
H0016491molecular_functionoxidoreductase activity
H0042803molecular_functionprotein homodimerization activity
H0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
H0050661molecular_functionNADP binding
H0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
H0102196molecular_functioncortisol dehydrogenase (NADP+) activity
Functional Information from PDB Data
site_idAC1
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAP A 901
ChainResidue
AGLY41
AMET93
AASN119
AILE121
AVAL168
ASER169
ASER170
ATYR183
ALYS187
ALEU215
AGLY216
AALA42
ALEU217
AILE218
ATHR220
ATHR222
AALA223
ANN4911
ASER43
ALYS44
AILE46
AALA65
AARG66
ASER67
ATHR92

site_idAC2
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NAP B 901
ChainResidue
BGLY41
BALA42
BSER43
BLYS44
BGLY45
BILE46
BALA65
BARG66
BSER67
BTHR92
BMET93
BASN119
BILE121
BVAL168
BSER169
BSER170
BTYR183
BLYS187
BLEU215
BGLY216
BLEU217
BILE218
BTHR220
BTHR222
BALA223
BNN4911

site_idAC3
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAP C 901
ChainResidue
CGLY41
CALA42
CSER43
CLYS44
CGLY45
CILE46
CALA65
CARG66
CSER67
CGLY91
CTHR92
CMET93
CASN119
CILE121
CVAL168
CSER169
CSER170
CTYR183
CLYS187
CLEU215
CGLY216
CLEU217
CILE218
CTHR220
CTHR222
CALA223
CNN4911

site_idAC4
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAP D 901
ChainResidue
DLEU217
DILE218
DTHR220
DTHR222
DALA223
DNN4911
DGLY41
DALA42
DSER43
DLYS44
DGLY45
DILE46
DALA65
DARG66
DSER67
DGLY91
DTHR92
DMET93
DASN119
DILE121
DVAL168
DSER169
DSER170
DTYR183
DLYS187
DLEU215
DGLY216

site_idAC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAP E 901
ChainResidue
EGLY41
EALA42
ESER43
ELYS44
EGLY45
EILE46
EALA65
EARG66
ESER67
EGLY91
ETHR92
EMET93
EASN119
EILE121
EVAL168
ESER169
ESER170
ETYR183
ELYS187
ELEU215
EGLY216
ELEU217
EILE218
ETHR220
ETHR222
EALA223
ENN4911

site_idAC6
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAP F 901
ChainResidue
FGLY41
FALA42
FSER43
FLYS44
FGLY45
FILE46
FALA65
FARG66
FSER67
FTHR92
FMET93
FASN119
FILE121
FSER169
FSER170
FTYR183
FLYS187
FLEU215
FGLY216
FLEU217
FILE218
FTHR220
FTHR222
FALA223
FNN4911

site_idAC7
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NAP G 901
ChainResidue
GGLY41
GSER43
GLYS44
GGLY45
GILE46
GALA65
GARG66
GSER67
GGLY91
GTHR92
GMET93
GASN119
GILE121
GVAL168
GSER169
GSER170
GTYR183
GLYS187
GLEU215
GGLY216
GLEU217
GILE218
GTHR220
GTHR222
GALA223
GNN4911

site_idAC8
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAP H 901
ChainResidue
HGLY41
HALA42
HSER43
HGLY45
HILE46
HALA65
HARG66
HSER67
HTHR92
HMET93
HASN119
HILE121
HVAL168
HSER169
HSER170
HTYR183
HLYS187
HLEU215
HGLY216
HLEU217
HILE218
HTHR220
HTHR222
HALA223
HNN4911

site_idAC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE NN4 A 911
ChainResidue
AILE121
ATHR124
ASER170
AALA172
ATYR177
APRO178
ATYR183
ATHR222
AVAL231
ANAP901
BTYR284

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE NN4 B 911
ChainResidue
ATYR284
BILE121
BTHR124
BSER170
BALA172
BTYR177
BPRO178
BTYR183
BTHR222
BVAL231
BNAP901

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE NN4 C 911
ChainResidue
CILE121
CTHR124
CSER170
CTYR177
CPRO178
CTYR183
CLEU217
CTHR222
CVAL231
CMET233
CNAP901
DTYR284

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE NN4 D 911
ChainResidue
DILE121
DTHR124
DSER170
DTYR177
DPRO178
DTYR183
DLEU217
DTHR222
DVAL231
DMET233
DNAP901

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE NN4 E 911
ChainResidue
EILE121
ETHR124
ESER170
ETYR177
EPRO178
ETYR183
EALA223
ENAP901
FTYR284

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE NN4 F 911
ChainResidue
FILE121
FTHR124
FSER170
FPRO178
FLEU217
FVAL231
FMET233
FNAP901

site_idBC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE NN4 G 911
ChainResidue
GILE121
GTHR124
GSER170
GALA172
GTYR177
GPRO178
GTYR183
GTHR222
GALA223
GVAL227
GVAL231
GNAP901
HTYR284

site_idBC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE NN4 H 911
ChainResidue
GTYR284
HILE121
HTHR124
HSER170
HTYR177
HPRO178
HTYR183
HALA226
HVAL231
HNAP901

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. SlagkvaypmVaaYSASKFALdGFFsSIR
ChainResidueDetails
ASER170-ARG198

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues296
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"15513927","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17919905","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18069989","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18485702","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18553955","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19217779","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"15513927","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1XU7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XU9","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues16
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues8
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ALYS174

site_idCSA10
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
BLYS187
BSER170
BTYR183

site_idCSA11
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
CLYS187
CSER170
CTYR183

site_idCSA12
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DLYS187
DSER170
DTYR183

site_idCSA13
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ELYS187
ESER170
ETYR183

site_idCSA14
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FLYS187
FSER170
FTYR183

site_idCSA15
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
GLYS187
GSER170
GTYR183

site_idCSA16
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
HLYS187
HSER170
HTYR183

site_idCSA17
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ALYS187
ASER170
ATYR183
AASN143

site_idCSA18
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
BLYS187
BSER170
BTYR183
BASN143

site_idCSA19
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
CLYS187
CSER170
CTYR183
CASN143

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
BLYS174

site_idCSA20
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DLYS187
DSER170
DTYR183
DASN143

site_idCSA21
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ELYS187
ESER170
ETYR183
EASN143

site_idCSA22
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FLYS187
FSER170
FTYR183
FASN143

site_idCSA23
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
GLYS187
GSER170
GTYR183
GASN143

site_idCSA24
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
HLYS187
HSER170
HTYR183
HASN143

site_idCSA25
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ALYS187
AVAL180

site_idCSA26
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
BLYS187
BVAL180

site_idCSA27
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
CLYS187
CVAL180

site_idCSA28
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DLYS187
DVAL180

site_idCSA29
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ELYS187
EVAL180

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
CLYS174

site_idCSA30
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FLYS187
FVAL180

site_idCSA31
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
GLYS187
GVAL180

site_idCSA32
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
HLYS187
HVAL180

site_idCSA33
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ALYS187
ATYR183

site_idCSA34
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
BLYS187
BTYR183

site_idCSA35
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
CLYS187
CTYR183

site_idCSA36
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DLYS187
DTYR183

site_idCSA37
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ELYS187
ETYR183

site_idCSA38
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FLYS187
FTYR183

site_idCSA39
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
GLYS187
GTYR183

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DLYS174

site_idCSA40
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
HLYS187
HTYR183

site_idCSA5
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ELYS174

site_idCSA6
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FLYS174

site_idCSA7
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
GLYS174

site_idCSA8
Number of Residues1
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
HLYS174

site_idCSA9
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
ALYS187
ASER170
ATYR183

246031

PDB entries from 2025-12-10

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