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1SWY

Use of a Halide Binding Site to Bypass the 1000-atom Limit to Ab initio Structure Determination

Functional Information from GO Data
ChainGOidnamespacecontents
A0003796molecular_functionlysozyme activity
A0009253biological_processpeptidoglycan catabolic process
A0016798molecular_functionhydrolase activity, acting on glycosyl bonds
A0016998biological_processcell wall macromolecule catabolic process
A0030430cellular_componenthost cell cytoplasm
A0031640biological_processkilling of cells of another organism
A0042742biological_processdefense response to bacterium
A0044659biological_processviral release from host cell by cytolysis
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE RB A 601
ChainResidue
AASP89
ALEU91
AGLU96
AHOH1142
AHOH1143
AHOH1144
AHOH1179

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE RB A 602
ChainResidue
AHOH1028
AHOH1068
AHOH1077
AGLU11
ATYR18

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE RB A 603
ChainResidue
AGLY30
APHE104
AHOH1031
AHOH1048
AHOH1134
AHOH1138
AHOH1150
AHOH1176

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE RB A 604
ChainResidue
ASER44
AGLY113
ATHR115
AHOH1219

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE RB A 605
ChainResidue
ATYR25
APRO37
AHOH1038
AHOH1056

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 611
ChainResidue
AARG125
ATRP126
AASP127
AGLU128
AHOH1132

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CL A 612
ChainResidue
ALYS124
ATHR142
APRO143
AASN144
AARG145
AHOH1131
AHOH1222

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 613
ChainResidue
AASN132
ALYS135
AHOH1163

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 614
ChainResidue
AHIS31
ALYS135
AHOH1015

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CL A 615
ChainResidue
ASER44
AGLU45
ALYS48
APHE114
ATHR115
AASN116
ASER117
AASN132

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE BME A 599
ChainResidue
AVAL71
AALA72

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BME A 600
ChainResidue
AASN68
AALA72
AHOH1689
AHOH1690

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_04110, ECO:0000269|PubMed:3382407, ECO:0000269|PubMed:7831309, ECO:0000269|PubMed:8266098
ChainResidueDetails
AGLU11

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor/acceptor => ECO:0000255|HAMAP-Rule:MF_04110, ECO:0000269|PubMed:1892846, ECO:0000269|PubMed:3382407, ECO:0000269|PubMed:7831309, ECO:0000269|PubMed:8266098
ChainResidueDetails
AASP20

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:8266098
ChainResidueDetails
ALEU32
APHE104

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: BINDING => ECO:0000303|PubMed:7831309
ChainResidueDetails
ASER117
AASN132

Catalytic Information from CSA
site_idMCSA1
Number of Residues2
DetailsM-CSA 921
ChainResidueDetails
AGLU11proton shuttle (general acid/base)
AASP20covalent catalysis

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PDB entries from 2024-06-12

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