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6GL5

Crystal Structure of dimethylated RSL - sulfonatocalix[4]arene complex

Functional Information from GO Data
ChainGOidnamespacecontents
A0030246molecular_functioncarbohydrate binding
A0046872molecular_functionmetal ion binding
B0030246molecular_functioncarbohydrate binding
B0046872molecular_functionmetal ion binding
C0030246molecular_functioncarbohydrate binding
C0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue T3Y A 101
ChainResidue
ASNM1
AHOH223
AHOH226
AHOH261
BTRP31
BMLY34
BGLY35
BT3Y102
CALA85
CT3Y102
CHOH269
ASER2
AASN23
AMLY34
AASP46
AHOH211
AHOH212
AHOH215
AHOH220

site_idAC2
Number of Residues6
Detailsbinding site for residue GOL A 102
ChainResidue
AARG17
AGLU28
AALA40
ATRP76
ATRP81
AHOH230

site_idAC3
Number of Residues10
Detailsbinding site for residue GOL A 103
ChainResidue
AARG62
AGLU73
AGLY84
AALA85
ATYR86
AHOH252
AHOH257
CILE16
CTRP31
CTRP36

site_idAC4
Number of Residues9
Detailsbinding site for residue PG4 A 104
ChainResidue
AALA40
AASN42
AGLU43
AHOH237
BTRP74
BTRP81
BMLY83
BHOH201
CT3Y101

site_idAC5
Number of Residues10
Detailsbinding site for residue PEG A 105
ChainResidue
AARG29
ATRP36
ATYR37
ATHR38
ATHR67
AGLY68
AHOH289
BHOH212
CT3Y102
CHOH278

site_idAC6
Number of Residues2
Detailsbinding site for residue EDO A 106
ChainResidue
AHOH213
CT3Y102

site_idAC7
Number of Residues19
Detailsbinding site for residue T3Y B 101
ChainResidue
BSNM1
BSER2
BTHR12
BVAL13
BPRO14
BASN23
BTRP31
BHOH204
BHOH252
BHOH258
BHOH261
CTRP53
CVAL55
CHIS60
CARG62
CTHR69
CGOL104
CHOH257
CHOH261

site_idAC8
Number of Residues14
Detailsbinding site for residue T3Y B 102
ChainResidue
AVAL13
AASP32
AMLY34
AT3Y101
AHOH211
AHOH222
BARG29
BTRP36
BTYR37
BTHR38
BPEG105
BPEG106
BHOH214
BHOH225

site_idAC9
Number of Residues10
Detailsbinding site for residue GOL B 103
ChainResidue
AILE16
AMLY25
ATRP31
ATRP36
BARG62
BGLU73
BGLY84
BALA85
BTYR86
BHOH242

site_idAD1
Number of Residues8
Detailsbinding site for residue GOL B 104
ChainResidue
BARG17
BGLU28
BALA40
BPHE41
BTRP76
BTRP81
BHOH248
BHOH285

site_idAD2
Number of Residues1
Detailsbinding site for residue PEG B 105
ChainResidue
BT3Y102

site_idAD3
Number of Residues5
Detailsbinding site for residue PEG B 106
ChainResidue
BTHR38
BT3Y102
BHOH211
BHOH262
BHOH269

site_idAD4
Number of Residues28
Detailsbinding site for residue T3Y C 101
ChainResidue
AGLU43
ATRP74
AGLY80
ATRP81
ATHR82
AMLY83
APG4104
AHOH208
AHOH250
BPRO44
BTHR67
BTHR70
BMLY83
BHOH233
BHOH250
CTHR82
CMLY83
CHOH219
CHOH226
CHOH227
CHOH232
CHOH237
CHOH241
CHOH243
CHOH259
CHOH268
CHOH277
CHOH299

site_idAD5
Number of Residues17
Detailsbinding site for residue T3Y C 102
ChainResidue
AMLY34
AGLY35
ATRP36
AASP46
ATHR67
AGLY68
AT3Y101
APEG105
AEDO106
AHOH261
AHOH271
CSNM1
CSER2
CHOH210
CHOH214
CHOH278
CHOH282

site_idAD6
Number of Residues14
Detailsbinding site for residue T3Y C 103
ChainResidue
CTRP10
CSER15
CARG17
CASP32
CSER57
CALA58
CILE59
CTRP76
CGLY78
CGOL105
CHOH206
CHOH239
CHOH266
CHOH267

site_idAD7
Number of Residues11
Detailsbinding site for residue GOL C 104
ChainResidue
BILE16
BTRP31
BTRP36
BT3Y101
BHOH204
CARG62
CGLU73
CGLY84
CALA85
CTYR86
CHOH269

site_idAD8
Number of Residues8
Detailsbinding site for residue GOL C 105
ChainResidue
CARG17
CGLU28
CALA40
CPHE41
CTRP76
CTRP81
CT3Y103
CHOH239

site_idAD9
Number of Residues3
Detailsbinding site for residue SO4 C 106
ChainResidue
CARG29
CTYR37
CTHR38

site_idAE1
Number of Residues2
Detailsbinding site for residue PEG C 107
ChainResidue
CTRP36
CTYR37

site_idAE2
Number of Residues8
Detailsbinding site for Di-peptide SNM B 1 and SER B 2
ChainResidue
BVAL3
BASN22
BASN23
BT3Y101
BHOH239
BHOH266
CGLY68
CTHR69

site_idAE3
Number of Residues8
Detailsbinding site for Di-peptide SNM C 1 and SER C 2
ChainResidue
AASP46
ATHR67
AGLY68
CVAL3
CT3Y102
CHOH214
CHOH242
CHOH250

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PDB entries from 2024-07-10

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