6NKJ

1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.

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Functional Information from GO Data

ChainGOidnamespacecontents
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC19binding site for residue 0V5 A 501
ChainResidue
AARG96
ACYS120
ATHR121
AARG401
ACIT502
AHOH609
AHOH642
AHOH679
AHOH790

AC219binding site for residue CIT A 502
ChainResidue
ALYS23
AASN24
AILE122
AARG125
AASP309
AARG335
ALEU374
AARG375
AARG401
A0V5501
AHOH636
AHOH647
AHOH652
AHOH670
AHOH736
AHOH742
AHOH865
AHOH1066
AHOH1154

AC34binding site for residue CL A 503
ChainResidue
ASER115
AGLY146
ATYR147
BARG344

AC45binding site for residue EDO B 502
ChainResidue
BHIS226
BLYS299
BHOH908
BHOH952
BHOH1058

AC525binding site for residue CIT B 503
ChainResidue
BLYS23
BASN24
BILE122
BARG125
BASP309
BPHE332
BARG335
BLEU374
BARG375
BARG401
B0V5501
BHOH633
BHOH638
BHOH665
BHOH705
BHOH716
BHOH746
BHOH774
BHOH779
BHOH827
BHOH912
BHOH927
BHOH1039
BHOH1091
BHOH1169

AC61binding site for residue CL B 504
ChainResidue
BASN203

AC714binding site for Di-peptide 0V5 B 501 and CYS B 120
ChainResidue
AGLU340
AHOH646
BARG96
BGLY119
BTHR121
BILE122
BGLY123
BARG125
BARG401
BCIT503
BHOH674
BHOH679
BHOH686
BHOH776

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

site_idNumber of ResiduesDetails
CIT_6nkj_A_50213CITRIC ACID binding site
ChainResidueligand
ALYS23-ASN24CIT: CITRIC ACID
AASP51CIT: CITRIC ACID
ACYS120CIT: CITRIC ACID
AILE122CIT: CITRIC ACID
AARG125CIT: CITRIC ACID
AASP309CIT: CITRIC ACID
APHE332CIT: CITRIC ACID
AARG335CIT: CITRIC ACID
AASP373-ARG375CIT: CITRIC ACID
AARG401CIT: CITRIC ACID

0V5_6nkj_A_50111(2R)-2-(phosphonooxy)propanoic acid binding site
ChainResidueligand
AVAL92-ARG960V5: (2R)-2-(phosphonooxy)propanoic acid
AGLY119-ILE1220V5: (2R)-2-(phosphonooxy)propanoic acid
AARG1250V5: (2R)-2-(phosphonooxy)propanoic acid
AARG4010V5: (2R)-2-(phosphonooxy)propanoic acid

CIT_6nkj_B_50314CITRIC ACID binding site
ChainResidueligand
BLYS23-ASN24CIT: CITRIC ACID
BASP51CIT: CITRIC ACID
BALA97CIT: CITRIC ACID
BCYS120CIT: CITRIC ACID
BILE122CIT: CITRIC ACID
BARG125CIT: CITRIC ACID
BASP309CIT: CITRIC ACID
BPHE332CIT: CITRIC ACID
BARG335CIT: CITRIC ACID
BASP373-ARG375CIT: CITRIC ACID
BARG401CIT: CITRIC ACID

EDO_6nkj_B_50231,2-ETHANEDIOL binding site
ChainResidueligand
BGLY39-LYS40EDO: 1,2-ETHANEDIOL
BHIS226EDO: 1,2-ETHANEDIOL

0V5_6nkj_B_50111(2R)-2-(phosphonooxy)propanoic acid binding site
ChainResidueligand
BVAL92-ARG960V5: (2R)-2-(phosphonooxy)propanoic acid
BGLY119-ILE1220V5: (2R)-2-(phosphonooxy)propanoic acid
BARG1250V5: (2R)-2-(phosphonooxy)propanoic acid
BARG4010V5: (2R)-2-(phosphonooxy)propanoic acid

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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
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Catalytic Information from CSA

site_idNumber of ResiduesDetails