5GV5

Crystal structure of Candida antarctica Lipase B with active Ser105 modified with a phosphonate inhibitor

> Summary

Summary for 5GV5

DescriptorLipase B, [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid, N-ACETYL-D-GLUCOSAMINE (3 entities in total)
Functional Keywordslipase, inhibitor, phosphonate, cal-b, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourcePseudozyma antarctica
Total number of polymer chains8
Total molecular weight271156.26
Authors
Park, S.Y.,Lee, H. (deposition date: 2016-09-02, release date: 2017-09-13)
Primary citation
Lee, H.,Park, S.S.,Park, S.Y.
Structural and Experimental Evidences for its Enantiomeric Recognition Towards a Bulky sec-Alcohol
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.89 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23650.1%4.5%0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5gv5
no rotation
Molmil generated image of 5gv5
rotated about x axis by 90°
Molmil generated image of 5gv5
rotated about y axis by 90°

More Biological unit images

Molmil generated image of 5gv5
no rotation
Molmil generated image of 5gv5
rotated about x axis by 90°
Molmil generated image of 5gv5
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (5gv5.pdb1.gz [53.68 KB])
Coordinate files for Biological unit (5gv5.pdb2.gz [53.88 KB])
Coordinate files for Biological unit (5gv5.pdb3.gz [53.5 KB])
Coordinate files for Biological unit (5gv5.pdb4.gz [52.62 KB])
Coordinate files for Biological unit (5gv5.pdb5.gz [53.29 KB])
Coordinate files for Biological unit (5gv5.pdb6.gz [53.94 KB])
Coordinate files for Biological unit (5gv5.pdb7.gz [53.94 KB])
Coordinate files for Biological unit (5gv5.pdb8.gz [53.4 KB])

> Structural details

Entity

Chain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
A, B, C, D, E...Lipase Bpolymer31733040.28
UniProt (P41365)
Pseudozyma antarcticaCALB
[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acidnon-polymer301.38
N-ACETYL-D-GLUCOSAMINEnon-polymer221.220

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains8
Total molecular weight264321.9
Non-Polymers*Number of molecules28
Total molecular weight6834.4
All*Total molecular weight271156.3
*Water molecules are not included.

> Experimental details

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (2.89 Å)

Cell axes92.462123.222150.316
Cell angles90.0096.2090.00
SpacegroupP 1 21 1
Resolution limits30.63 - 2.89
the highest resolution shell value2.967 - 2.892
R-factor0.17407
R-work0.17118
the highest resolution shell value0.271
R-free0.22864
the highest resolution shell value0.358
RMSD bond length0.013
RMSD bond angle1.743

Data Collection Statistics

Resolution limits50.00 - 2.90
the highest resolution shell value -
Number of reflections74402
Rmerge_l_obs0.108
the highest resolution shell value0.432
Completeness99.7
Redundancy3.7
the highest resolution shell value3.7

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION, HANGING DROP8.5295

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
Annotated Information is extracted from Literature Info*

> Functional details

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Functional Information from GO Data

ChainGOidnamespacecontents
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC112binding site for residue MSW A 401
ChainResidue
AGLY39
ATHR40
ATRP104
ASER105
AGLN106
AASP134
AGLN157
AILE189
AHIS224
ALEU278
AALA281
AILE285

AC26binding site for Poly-Saccharide residues NAG A 402 through NAG A 405 bound to ASN A 74
ChainResidue
ASER10
AGLN11
APRO69
AASN74
AASP75
AVAL78

AC32binding site for Poly-Saccharide residues NAG B 402 through NAG B 403 bound to ASN B 74
ChainResidue
BPRO69
BASN74

AC46binding site for Poly-Saccharide residues NAG C 402 through NAG C 405 bound to ASN C 74
ChainResidue
CPHE9
CSER10
CGLN11
CASN74
CASP75
CVAL78

AC51binding site for Poly-Saccharide residues NAG D 402 through NAG D 403 bound to ASN D 74
ChainResidue
DASN74

AC61binding site for Poly-Saccharide residues NAG E 402 through NAG E 403 bound to ASN E 74
ChainResidue
EASN74

AC71binding site for Poly-Saccharide residues NAG F 402 through NAG F 403 bound to ASN F 74
ChainResidue
FASN74

AC87binding site for Poly-Saccharide residues NAG G 402 through NAG G 403 bound to ASN G 74
ChainResidue
GSER10
GGLN11
GPRO69
GASN74
GASP75
GVAL78
GMET298

AC91binding site for Poly-Saccharide residues NAG H 402 through NAG H 403 bound to ASN H 74
ChainResidue
HASN74

AD114binding site for Di-peptide MSW B 401 and SER B 105
ChainResidue
BTHR40
BTRP104
BGLN106
BGLY107
BGLY108
BPHE131
BALA132
BPRO133
BGLN157
BILE189
BHIS224
BLEU278
BALA281
BILE285

AD213binding site for Di-peptide MSW C 401 and SER C 105
ChainResidue
CTHR40
CTRP104
CGLN106
CGLY107
CGLY108
CPHE131
CALA132
CPRO133
CASP134
CGLN157
CHIS224
CLEU278
CILE285

AD312binding site for Di-peptide MSW D 401 and SER D 105
ChainResidue
DTHR40
DTRP104
DGLN106
DGLY107
DGLY108
DPHE131
DALA132
DASP134
DGLN157
DHIS224
DLEU278
DILE285

AD413binding site for Di-peptide MSW E 401 and SER E 105
ChainResidue
ETHR40
ETRP104
EGLN106
EGLY107
EGLY108
EPHE131
EALA132
EASP134
EGLN157
EHIS224
ELEU278
EALA281
EILE285

AD515binding site for Di-peptide MSW F 401 and SER F 105
ChainResidue
FGLY39
FTHR40
FTRP104
FGLN106
FGLY107
FGLY108
FPHE131
FALA132
FPRO133
FASP134
FGLN157
FILE189
FHIS224
FLEU278
FILE285

AD615binding site for Di-peptide MSW G 401 and SER G 105
ChainResidue
GGLY39
GTHR40
GTRP104
GGLN106
GGLY107
GGLY108
GPHE131
GALA132
GASP134
GGLN157
GILE189
GHIS224
GLEU278
GALA281
GILE285

AD716binding site for Di-peptide MSW H 401 and SER H 105
ChainResidue
HTHR40
HGLY41
HTRP104
HGLN106
HGLY107
HGLY108
HPHE131
HALA132
HASP134
HGLN157
HILE189
HHIS224
HLEU278
HALA281
HALA282
HILE285

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
NAG_5gv5_A_4055N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
APHE9-LYS13NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_A_4043N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ASER10-PRO12NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_A_4032N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ASER10-GLN11NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_A_4028N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
AGLN11NAG: N-ACETYL-D-GLUCOSAMINE
APRO69NAG: N-ACETYL-D-GLUCOSAMINE
AASN74-ASP75NAG: N-ACETYL-D-GLUCOSAMINE
AVAL78NAG: N-ACETYL-D-GLUCOSAMINE
ATYR82NAG: N-ACETYL-D-GLUCOSAMINE
AMET298NAG: N-ACETYL-D-GLUCOSAMINE
CVAL15NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_C_4029N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
AVAL15NAG: N-ACETYL-D-GLUCOSAMINE
CGLN11NAG: N-ACETYL-D-GLUCOSAMINE
CPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
CASN74-ASP75NAG: N-ACETYL-D-GLUCOSAMINE
CVAL78NAG: N-ACETYL-D-GLUCOSAMINE
CTYR82NAG: N-ACETYL-D-GLUCOSAMINE
CMET298NAG: N-ACETYL-D-GLUCOSAMINE

MSW_5gv5_A_40116[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
AGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ATRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
AASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ATHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
AGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
AILE189-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
AHIS224MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ALEU277-LEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
AALA281-ALA282MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
AILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

MSW_5gv5_D_40118[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
AGLY307MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DTRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DTHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DILE189-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DHIS224-ALA225MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DLEU277-LEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DALA281-ALA282MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
DILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

MSW_5gv5_B_40117[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
BGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BTRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BTHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BILE189-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BHIS224-ALA225MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BLEU277-LEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BALA281-ALA282MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
BILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

NAG_5gv5_B_4023N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
BPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
BASN74NAG: N-ACETYL-D-GLUCOSAMINE

MSW_5gv5_F_40118[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
BGLY307MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FTRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FTHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FGLU188-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FHIS224-ALA225MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FLEU277-LEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FALA281MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
FILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

NAG_5gv5_C_4052N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
CPHE9NAG: N-ACETYL-D-GLUCOSAMINE
CGLN11NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_C_4044N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
CPHE9-PRO12NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_C_4033N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
CSER10-PRO12NAG: N-ACETYL-D-GLUCOSAMINE

MSW_5gv5_C_40118[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
CGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CTRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CTHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CGLU188-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CASP223-ALA225MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CLEU277-LEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CALA281MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
CILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

NAG_5gv5_D_4023N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
DPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
DASN74NAG: N-ACETYL-D-GLUCOSAMINE

MSW_5gv5_E_40118[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
EGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ETHR42MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ETRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
EASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ETHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
EGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
EGLU188-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
EHIS224-ALA225MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
ELEU277-LEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
EALA281MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
EILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

NAG_5gv5_E_4023N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
EPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
EASN74NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_F_4023N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
FPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
FASN74NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_G_4032N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
GSER10-GLN11NAG: N-ACETYL-D-GLUCOSAMINE

NAG_5gv5_G_4029N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
GSER10-GLN11NAG: N-ACETYL-D-GLUCOSAMINE
GPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
GASN74-ASP75NAG: N-ACETYL-D-GLUCOSAMINE
GVAL78NAG: N-ACETYL-D-GLUCOSAMINE
GTYR82NAG: N-ACETYL-D-GLUCOSAMINE
GMET298NAG: N-ACETYL-D-GLUCOSAMINE

MSW_5gv5_G_40119[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
GGLY39-THR40MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GTRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GTHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GILE189-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GASP223-ALA225MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GLEU277-ALA279MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GALA281-ALA282MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
GILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

MSW_5gv5_H_40117[(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid binding site
ChainResidueligand
HGLY39-THR42MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HTRP104-GLN106MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HASP134MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HTHR138MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HGLN157MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HILE189-VAL190MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HHIS224MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HLEU278MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HALA281-ALA282MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
HILE285MSW: [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid

NAG_5gv5_H_4023N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
HPRO69-PRO70NAG: N-ACETYL-D-GLUCOSAMINE
HASN74NAG: N-ACETYL-D-GLUCOSAMINE

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI12{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
ASER105
AASP187

SWS_FT_FI21
ChainResidueDetails
AHIS224

SWS_FT_FI32{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
BSER105
BASP187

SWS_FT_FI41
ChainResidueDetails
BHIS224

SWS_FT_FI52{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
CSER105
CASP187

SWS_FT_FI61
ChainResidueDetails
CHIS224

SWS_FT_FI72{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
DSER105
DASP187

SWS_FT_FI81
ChainResidueDetails
DHIS224

SWS_FT_FI92{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
ESER105
EASP187

SWS_FT_FI101
ChainResidueDetails
EHIS224

SWS_FT_FI112{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
FSER105
FASP187

SWS_FT_FI121
ChainResidueDetails
FHIS224

SWS_FT_FI132{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
GSER105
GASP187

SWS_FT_FI141
ChainResidueDetails
GHIS224

SWS_FT_FI152{ECO:0000269|PubMed:8527460}.
ChainResidueDetails
HSER105
HASP187

SWS_FT_FI161
ChainResidueDetails
HHIS224

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Catalytic Information from CSA

site_idNumber of ResiduesDetails

> Sequence Neighbor

> Downloads

Resources

File formatFile name (file size)
PDBallpdb5gv5.ent.gz (388.68 KB)
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all (no-compress)pdb5gv5.ent (1.59 MB)
header onlypdb5gv5.ent.gz (11.57 KB)
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PDBx/mmCIF5gv5.cif.gz (451.65 KB)
PDBMLall5gv5.xml.gz (625.68 KB)
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no-atom5gv5-noatom.xml.gz (62.83 KB)
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ext-atom5gv5-extatom.xml.gz (419.17 KB)
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PDBMLplusall5gv5-plus.xml.gz (629.4 KB)
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no-atom5gv5-plus-noatom.xml.gz (66.55 KB)
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add only5gv5-add.xml.gz (3.73 KB)
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RDF5gv5.rdf.gz (145.8 KB)
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Structure factorsr5gv5sf.ent.gz (1.24 MB)
Biological unit (PDB format)5gv5.pdb1.gz (53.68 KB) (A)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb2.gz (53.88 KB) (B)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb3.gz (53.5 KB) (C)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb4.gz (52.62 KB) (D)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb5.gz (53.29 KB) (E)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb6.gz (53.94 KB) (F)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb7.gz (53.94 KB) (G)
*author defined assembly, 1 molecule(s) (monomeric)
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5gv5.pdb8.gz (53.4 KB) (H)
*author defined assembly, 1 molecule(s) (monomeric)
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Validation reportsPDF5gv5​_validation.pdf.gz (379.06 KB)
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PDF-full5gv5​_full​_validation.pdf.gz (427.72 KB)
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XML5gv5​_validation.xml.gz (84.69 KB)
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PNG5gv5​_multipercentile​_validation.png.gz (161.42 KB)
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SVG5gv5​_multipercentile​_validation.svg.gz (944 B)
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Sequence (fasta)5gv5​_seq.txt
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