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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
A0006706biological_processsteroid catabolic process
A0008202biological_processsteroid metabolic process
A0016020cellular_componentmembrane
A0016491molecular_functionoxidoreductase activity
A0030324biological_processlung development
A0042803molecular_functionprotein homodimerization activity
A0043231cellular_componentintracellular membrane-bounded organelle
A0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
A0050661molecular_functionNADP binding
A0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
A0102196molecular_functioncortisol dehydrogenase activity
B0005496molecular_functionsteroid binding
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0006706biological_processsteroid catabolic process
B0008202biological_processsteroid metabolic process
B0016020cellular_componentmembrane
B0016491molecular_functionoxidoreductase activity
B0030324biological_processlung development
B0042803molecular_functionprotein homodimerization activity
B0043231cellular_componentintracellular membrane-bounded organelle
B0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
B0050661molecular_functionNADP binding
B0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
B0102196molecular_functioncortisol dehydrogenase activity
C0005496molecular_functionsteroid binding
C0005783cellular_componentendoplasmic reticulum
C0005789cellular_componentendoplasmic reticulum membrane
C0006706biological_processsteroid catabolic process
C0008202biological_processsteroid metabolic process
C0016020cellular_componentmembrane
C0016491molecular_functionoxidoreductase activity
C0030324biological_processlung development
C0042803molecular_functionprotein homodimerization activity
C0043231cellular_componentintracellular membrane-bounded organelle
C0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
C0050661molecular_functionNADP binding
C0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
C0102196molecular_functioncortisol dehydrogenase activity
D0005496molecular_functionsteroid binding
D0005783cellular_componentendoplasmic reticulum
D0005789cellular_componentendoplasmic reticulum membrane
D0006706biological_processsteroid catabolic process
D0008202biological_processsteroid metabolic process
D0016020cellular_componentmembrane
D0016491molecular_functionoxidoreductase activity
D0030324biological_processlung development
D0042803molecular_functionprotein homodimerization activity
D0043231cellular_componentintracellular membrane-bounded organelle
D0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
D0050661molecular_functionNADP binding
D0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
D0102196molecular_functioncortisol dehydrogenase activity
E0005496molecular_functionsteroid binding
E0005783cellular_componentendoplasmic reticulum
E0005789cellular_componentendoplasmic reticulum membrane
E0006706biological_processsteroid catabolic process
E0008202biological_processsteroid metabolic process
E0016020cellular_componentmembrane
E0016491molecular_functionoxidoreductase activity
E0030324biological_processlung development
E0042803molecular_functionprotein homodimerization activity
E0043231cellular_componentintracellular membrane-bounded organelle
E0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
E0050661molecular_functionNADP binding
E0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
E0102196molecular_functioncortisol dehydrogenase activity
F0005496molecular_functionsteroid binding
F0005783cellular_componentendoplasmic reticulum
F0005789cellular_componentendoplasmic reticulum membrane
F0006706biological_processsteroid catabolic process
F0008202biological_processsteroid metabolic process
F0016020cellular_componentmembrane
F0016491molecular_functionoxidoreductase activity
F0030324biological_processlung development
F0042803molecular_functionprotein homodimerization activity
F0043231cellular_componentintracellular membrane-bounded organelle
F0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
F0050661molecular_functionNADP binding
F0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
F0102196molecular_functioncortisol dehydrogenase activity
G0005496molecular_functionsteroid binding
G0005783cellular_componentendoplasmic reticulum
G0005789cellular_componentendoplasmic reticulum membrane
G0006706biological_processsteroid catabolic process
G0008202biological_processsteroid metabolic process
G0016020cellular_componentmembrane
G0016491molecular_functionoxidoreductase activity
G0030324biological_processlung development
G0042803molecular_functionprotein homodimerization activity
G0043231cellular_componentintracellular membrane-bounded organelle
G0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
G0050661molecular_functionNADP binding
G0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
G0102196molecular_functioncortisol dehydrogenase activity
H0005496molecular_functionsteroid binding
H0005783cellular_componentendoplasmic reticulum
H0005789cellular_componentendoplasmic reticulum membrane
H0006706biological_processsteroid catabolic process
H0008202biological_processsteroid metabolic process
H0016020cellular_componentmembrane
H0016491molecular_functionoxidoreductase activity
H0030324biological_processlung development
H0042803molecular_functionprotein homodimerization activity
H0043231cellular_componentintracellular membrane-bounded organelle
H0047022molecular_function7-beta-hydroxysteroid dehydrogenase (NADP+) activity
H0050661molecular_functionNADP binding
H0070524molecular_function11-beta-hydroxysteroid dehydrogenase (NADP+) activity
H0102196molecular_functioncortisol dehydrogenase 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
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
ASER184
BSER184
CSER184
DSER184
ESER184
FSER184
GSER184
HSER184

site_idSWS_FT_FI2
Number of Residues40
DetailsBINDING: BINDING => ECO:0000269|PubMed:15513927, ECO:0000269|PubMed:17919905, ECO:0000269|PubMed:18069989, ECO:0000269|PubMed:18485702, ECO:0000269|PubMed:18553955, ECO:0000269|PubMed:19217779
ChainResidueDetails
AALA42
BASP219
CALA42
CMET93
CHIS120
CSER184
CASP219
DALA42
DMET93
DHIS120
DSER184
AMET93
DASP219
EALA42
EMET93
EHIS120
ESER184
EASP219
FALA42
FMET93
FHIS120
FSER184
AHIS120
FASP219
GALA42
GMET93
GHIS120
GSER184
GASP219
HALA42
HMET93
HHIS120
HSER184
ASER184
HASP219
AASP219
BALA42
BMET93
BHIS120
BSER184

site_idSWS_FT_FI3
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:15513927, ECO:0007744|PDB:1XU7, ECO:0007744|PDB:1XU9
ChainResidueDetails
ALEU171
BLEU171
CLEU171
DLEU171
ELEU171
FLEU171
GLEU171
HLEU171

site_idSWS_FT_FI4
Number of Residues16
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218
ChainResidueDetails
ATHR124
EGLY163
FTHR124
FGLY163
GTHR124
GGLY163
HTHR124
HGLY163
AGLY163
BTHR124
BGLY163
CTHR124
CGLY163
DTHR124
DGLY163
ETHR124

site_idSWS_FT_FI5
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AVAL208
BVAL208
CVAL208
DVAL208
EVAL208
FVAL208
GVAL208
HVAL208

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

223166

PDB entries from 2024-07-31

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