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1NKH

Crystal structure of Lactose synthase complex with UDP and Manganese

Replaces:  1J8X
Functional Information from GO Data
ChainGOidnamespacecontents
A0004461molecular_functionlactose synthase activity
A0005509molecular_functioncalcium ion binding
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005989biological_processlactose biosynthetic process
A0032991cellular_componentprotein-containing complex
A0046872molecular_functionmetal ion binding
B0005975biological_processcarbohydrate metabolic process
B0016757molecular_functionglycosyltransferase activity
C0004461molecular_functionlactose synthase activity
C0005509molecular_functioncalcium ion binding
C0005515molecular_functionprotein binding
C0005576cellular_componentextracellular region
C0005989biological_processlactose biosynthetic process
C0032991cellular_componentprotein-containing complex
C0046872molecular_functionmetal ion binding
D0005975biological_processcarbohydrate metabolic process
D0016757molecular_functionglycosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 805
ChainResidue
ALYS79
AASP82
AGLU84
AASP87
AASP88
AHOH909
AHOH945

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA C 806
ChainResidue
CGLU84
CASP87
CASP88
CHOH910
CHOH922
CLYS79
CASP82

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MN B 807
ChainResidue
BASP254
BMET344
BHIS347
BUDP809
BHOH908

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MN D 808
ChainResidue
DASP254
DMET344
DHIS347
DUDP810
DHOH902

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 818
ChainResidue
DGLU148
DPHE149
DASN150
DARG343

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 819
ChainResidue
ATHR4
ALYS7
AHOH1077
AHOH1288

site_idAC7
Number of Residues22
DetailsBINDING SITE FOR RESIDUE UDP B 809
ChainResidue
BPRO187
BPHE188
BARG189
BARG191
BPHE226
BASP252
BVAL253
BASP254
BTRP314
BMET344
BHIS347
BASP350
BMN807
BPG4817
BHOH908
BHOH912
BHOH937
BHOH959
BHOH976
BHOH992
BHOH1026
BHOH1210

site_idAC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE UDP D 810
ChainResidue
DPRO187
DPHE188
DARG189
DARG191
DPHE226
DASP252
DVAL253
DASP254
DTRP314
DMET344
DHIS347
DARG349
DASP350
DMN808
DPG4816
DHOH902
DHOH919
DHOH925
DHOH931
DHOH1018
DHOH1181

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE UDP B 811
ChainResidue
BLEU155
BLYS156
BGLU159
BGLN192
BGLN386
BTYR388
BPRO389
BLEU390
BTYR391
BLYS393

site_idBC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE UDP D 812
ChainResidue
DLEU155
DLYS156
DGLU159
DGLN386
DTYR388
DPRO389
DLEU390
DTYR391
DHOH958
DHOH1285
DHOH1301
DHOH1331

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PG4 A 813
ChainResidue
AHIS32
ASER34
AGLY35
AALA40
AHOH940
AHOH1279
BLYS279
BTRP314
BARG349
BPG4817
AGLU2
APHE31

site_idBC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PG4 C 814
ChainResidue
CPHE31
CHIS32
CTHR33
CSER34
CGLY35
CASP37
CALA40
CHOH967
CHOH1183
DTRP314
DARG359
DPG4816

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PG4 B 815
ChainResidue
BASP242
BVAL385
BARG387
BHOH1107
BHOH1287
BHOH1495
DARG387

site_idBC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PG4 D 816
ChainResidue
CPHE31
CPG4814
DLYS279
DPHE280
DTYR286
DTYR289
DGLY292
DTRP314
DASP318
DUDP810
DHOH1132
DHOH1159
DHOH1181
DHOH1281

site_idBC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PG4 B 817
ChainResidue
APHE31
APG4813
BLYS279
BPHE280
BTYR286
BTRP314
BGLY316
BASP318
BASP319
BUDP809
BHOH912
BHOH1026
BHOH1190
BHOH1240

Functional Information from PROSITE/UniProt
site_idPS00128
Number of Residues19
DetailsGLYCOSYL_HYDROL_F22_1 Glycosyl hydrolases family 22 (GH22) domain signature. CgisCdkLlddELdddiaC
ChainResidueDetails
ACYS73-CYS91

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsBINDING:
ChainResidueDetails
BPRO187
DPHE226
DVAL253
DASP254
DTRP314
DGLY316
DHIS347
DARG359
BPHE226
BVAL253
BASP254
BTRP314
BGLY316
BHIS347
BARG359
DPRO187

site_idSWS_FT_FI2
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN45
CASN45

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1fr8
ChainResidueDetails
BARG359
BGLU317
BASP319

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1fr8
ChainResidueDetails
DARG359
DGLU317
DASP319

site_idMCSA1
Number of Residues8
DetailsM-CSA 570
ChainResidueDetails
BASP252electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
BASP254metal ligand
BTRP314electrostatic stabiliser, hydrogen bond donor
BGLU317electrostatic stabiliser, hydrogen bond acceptor
BASP318activator, electrostatic stabiliser, proton acceptor, proton donor
BMET344metal ligand
BHIS347metal ligand
BARG349electrostatic stabiliser, hydrogen bond donor

site_idMCSA2
Number of Residues8
DetailsM-CSA 570
ChainResidueDetails
DASP252electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
DASP254metal ligand
DTRP314electrostatic stabiliser, hydrogen bond donor
DGLU317electrostatic stabiliser, hydrogen bond acceptor
DASP318activator, electrostatic stabiliser, proton acceptor, proton donor
DMET344metal ligand
DHIS347metal ligand
DARG349electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-10-30

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