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3Q2K

Crystal structure of the WlbA dehydrogenase from Bordetella pertussis in complex with NADH and UDP-GlcNAcA

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
B0000166molecular_functionnucleotide binding
C0000166molecular_functionnucleotide binding
D0000166molecular_functionnucleotide binding
E0000166molecular_functionnucleotide binding
F0000166molecular_functionnucleotide binding
G0000166molecular_functionnucleotide binding
H0000166molecular_functionnucleotide binding
I0000166molecular_functionnucleotide binding
J0000166molecular_functionnucleotide binding
K0000166molecular_functionnucleotide binding
L0000166molecular_functionnucleotide binding
M0000166molecular_functionnucleotide binding
N0000166molecular_functionnucleotide binding
O0000166molecular_functionnucleotide binding
P0000166molecular_functionnucleotide binding
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE NAI A 500
ChainResidue
AGLY17
APRO81
ASER82
ALEU84
AHIS85
AGLN88
AGLU102
ALYS103
AGLN131
ATRP174
AARG175
ACYS18
AHIS191
AHIS301
AHOH351
AHOH353
AHP7550
AGLY19
AARG20
AILE21
AASP43
AASN45
AALA79
ATHR80

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE HP7 A 550
ChainResidue
AARG20
ALYS103
AGLN131
ATRP162
ATHR163
AARG164
APRO165
ATYR168
AASN187
AGLN188
AHIS191
AGLN246
AASN247
AHOH353
AHOH367
AHOH376
AHOH377
ANAI500
OGLU278
OPRO279

site_idAC3
Number of Residues20
DetailsBINDING SITE FOR RESIDUE NAI B 500
ChainResidue
BGLY17
BGLY19
BARG20
BILE21
BASP43
BTHR44
BASN45
BALA79
BTHR80
BSER82
BLEU84
BHIS85
BGLN88
BGLU102
BLYS103
BGLN131
BTRP174
BARG175
BHIS191
BHP7550

site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HP7 B 550
ChainResidue
BLYS103
BTRP162
BTHR163
BARG164
BPRO165
BTYR168
BASN187
BGLN188
BHIS191
BGLN246
BASN247
BHOH358
BHOH365
BNAI500

site_idAC5
Number of Residues21
DetailsBINDING SITE FOR RESIDUE NAI C 500
ChainResidue
CGLY17
CCYS18
CGLY19
CARG20
CILE21
CASP43
CTHR44
CASN45
CALA79
CTHR80
CSER82
CHIS85
CGLN88
CGLU102
CLYS103
CGLN131
CTRP174
CARG175
CHIS301
CHOH356
CHP7550

site_idAC6
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HP7 C 550
ChainResidue
CARG20
CLYS103
CGLN131
CASN132
CTRP162
CTHR163
CARG164
CPRO165
CTYR168
CASN187
CGLN188
CHIS191
CGLN246
CASN247
CHOH370
CNAI500
NARG287

site_idAC7
Number of Residues21
DetailsBINDING SITE FOR RESIDUE NAI D 500
ChainResidue
DGLY17
DGLY19
DARG20
DILE21
DASP43
DTHR44
DASN45
DTHR80
DPRO81
DSER82
DLEU84
DHIS85
DGLN88
DGLU102
DLYS103
DGLN131
DTRP174
DARG175
DHIS191
DHIS301
DHP7550

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HP7 D 550
ChainResidue
DARG20
DLYS103
DTRP162
DTHR163
DARG164
DPRO165
DTYR168
DASN187
DGLN188
DHIS191
DGLN246
DASN247
DNAI500

site_idAC9
Number of Residues18
DetailsBINDING SITE FOR RESIDUE NAI E 500
ChainResidue
ECYS18
EGLY19
EARG20
EILE21
EASP43
ETHR44
EASN45
ETHR80
ESER82
EHIS85
EGLN88
EGLU102
ELYS103
EGLN131
ETRP174
EARG175
EHIS191
EHP7550

site_idBC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HP7 E 550
ChainResidue
EARG20
ELYS103
EASN132
ETRP162
ETHR163
EARG164
EPRO165
ETYR168
EASN187
EGLN188
EHIS191
EGLN246
EASN247
ENAI500

site_idBC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE NAI F 500
ChainResidue
FCYS18
FGLY19
FARG20
FILE21
FASP43
FTHR44
FASN45
FALA79
FTHR80
FPRO81
FSER82
FLEU84
FHIS85
FGLN88
FGLU102
FLYS103
FGLN131
FTRP174
FARG175
FHIS191
FHOH358
FHP7550

site_idBC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HP7 F 550
ChainResidue
FARG20
FLYS103
FTRP162
FTHR163
FARG164
FPRO165
FTYR168
FASN187
FGLN188
FHIS191
FGLN246
FASN247
FNAI500

site_idBC4
Number of Residues22
DetailsBINDING SITE FOR RESIDUE NAI G 500
ChainResidue
GGLY19
GARG20
GILE21
GASP43
GTHR44
GASN45
GALA79
GTHR80
GSER82
GLEU84
GHIS85
GGLN88
GGLU102
GLYS103
GGLN131
GTRP174
GARG175
GHIS191
GHOH372
GHOH373
GHOH394
GHP7550

site_idBC5
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HP7 G 550
ChainResidue
GARG20
GLYS103
GGLN131
GTRP162
GTHR163
GARG164
GPRO165
GTYR168
GASN187
GGLN188
GHIS191
GGLN246
GASN247
GHOH373
GHOH374
GHOH380
GHOH381
GNAI500
GHOH537

site_idBC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE NAI H 500
ChainResidue
HCYS18
HGLY19
HARG20
HILE21
HASP43
HTHR44
HALA79
HTHR80
HSER82
HHIS85
HGLN88
HGLU102
HLYS103
HGLN131
HTRP174
HARG175
HHIS191
HHP7550

site_idBC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HP7 H 550
ChainResidue
HARG20
HLYS103
HGLN131
HTRP162
HTHR163
HARG164
HPRO165
HTYR168
HASN187
HGLN188
HHIS191
HGLN246
HASN247
HNAI500
HHOH538
HHOH539

site_idBC8
Number of Residues22
DetailsBINDING SITE FOR RESIDUE NAI I 500
ChainResidue
IGLY19
IARG20
IILE21
IASP43
ITHR44
IASN45
ITHR80
IPRO81
ISER82
ILEU84
IHIS85
IGLN88
IGLU102
ILYS103
IGLN131
ITRP174
IARG175
IHIS191
IHOH351
IHOH356
IHOH540
IHP7550

site_idBC9
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HP7 I 550
ChainResidue
IARG20
ILYS103
IASN132
ITRP162
ITHR163
IARG164
IPRO165
ITYR168
IASN187
IGLN188
IHIS191
IGLN246
IASN247
INAI500
IHOH540

site_idCC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE NAI J 500
ChainResidue
JGLY17
JCYS18
JGLY19
JARG20
JILE21
JASP43
JTHR44
JASN45
JTHR80
JPRO81
JSER82
JHIS85
JGLU102
JLYS103
JGLN131
JTRP174
JARG175
JHIS191
JHP7550

site_idCC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HP7 J 550
ChainResidue
JARG20
JLYS103
JGLN131
JTRP162
JTHR163
JARG164
JPRO165
JTYR168
JASN187
JGLN188
JHIS191
JGLN246
JASN247
JNAI500

site_idCC3
Number of Residues20
DetailsBINDING SITE FOR RESIDUE NAI K 500
ChainResidue
KGLY17
KGLY19
KARG20
KILE21
KASP43
KTHR44
KALA79
KTHR80
KPRO81
KSER82
KLEU84
KHIS85
KGLN88
KGLU102
KLYS103
KGLN131
KTRP174
KARG175
KHIS191
KHP7550

site_idCC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HP7 K 550
ChainResidue
KARG20
KLYS103
KTRP162
KTHR163
KARG164
KPRO165
KTYR168
KASN187
KGLN188
KHIS191
KASN247
KNAI500

site_idCC5
Number of Residues19
DetailsBINDING SITE FOR RESIDUE NAI L 500
ChainResidue
LGLY17
LCYS18
LGLY19
LARG20
LILE21
LASP43
LTHR44
LTHR80
LPRO81
LSER82
LHIS85
LGLN88
LGLU102
LLYS103
LGLN131
LTRP174
LARG175
LHIS191
LHP7550

site_idCC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HP7 L 550
ChainResidue
LARG20
LLYS103
LTRP162
LTHR163
LARG164
LPRO165
LTYR168
LASN187
LGLN188
LHIS191
LGLN246
LASN247
LNAI500

site_idCC7
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NAI M 500
ChainResidue
MGLY17
MCYS18
MGLY19
MARG20
MILE21
MASP43
MTHR44
MASN45
MALA79
MTHR80
MSER82
MLEU84
MHIS85
MGLN88
MGLU102
MLYS103
MGLN131
MTRP174
MARG175
MHIS191
MHIS301
MHOH542
MHP7550

site_idCC8
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HP7 M 550
ChainResidue
DASP284
DARG287
MARG20
MLYS103
MGLN131
MTRP162
MTHR163
MARG164
MPRO165
MTYR168
MASN187
MGLN188
MHIS191
MGLN246
MASN247
MHOH469
MNAI500

site_idCC9
Number of Residues20
DetailsBINDING SITE FOR RESIDUE NAI N 500
ChainResidue
NVAL16
NGLY19
NARG20
NILE21
NASP43
NTHR44
NASN45
NTHR80
NPRO81
NSER82
NLEU84
NHIS85
NGLN88
NGLU102
NLYS103
NGLN131
NTRP174
NARG175
NHIS191
NHP7550

site_idDC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE HP7 N 550
ChainResidue
AARG287
NARG20
NLYS103
NASN132
NTRP162
NTHR163
NARG164
NPRO165
NTYR168
NASN187
NGLN188
NHIS191
NGLN246
NASN247
NHOH454
NHOH494
NHOH499
NNAI500
NHOH501

site_idDC2
Number of Residues19
DetailsBINDING SITE FOR RESIDUE NAI O 500
ChainResidue
OCYS18
OGLY19
OARG20
OILE21
OASP43
OTHR44
OASN45
OALA79
OTHR80
OSER82
OLEU84
OHIS85
OGLN88
OGLU102
OLYS103
OGLN131
OTRP174
OARG175
OHIS191

site_idDC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE HP7 O 550
ChainResidue
OLYS103
OASN132
OTRP162
OTHR163
OARG164
OPRO165
OTYR168
OASN187
OHIS191
OGLN246
OASN247

site_idDC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE NAI P 500
ChainResidue
PVAL16
PGLY17
PCYS18
PGLY19
PARG20
PILE21
PASP43
PTHR44
PASN45
PTHR80
PSER82
PLEU84
PHIS85
PGLN88
PGLU102
PLYS103
PGLN131
PTRP174
PARG175
PHIS191
PHP7550

site_idDC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HP7 P 550
ChainResidue
PLYS103
PTRP162
PTHR163
PARG164
PPRO165
PTYR168
PASN187
PGLN188
PHIS191
PGLN246
PASN247
PNAI500

222415

PDB entries from 2024-07-10

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