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4GAE

Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0008299biological_processisoprenoid biosynthetic process
A0030604molecular_function1-deoxy-D-xylulose-5-phosphate reductoisomerase activity
A0046872molecular_functionmetal ion binding
A0070402molecular_functionNADPH binding
B0008299biological_processisoprenoid biosynthetic process
B0030604molecular_function1-deoxy-D-xylulose-5-phosphate reductoisomerase activity
B0046872molecular_functionmetal ion binding
B0070402molecular_functionNADPH binding
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NDP A 501
ChainResidue
AGLY84
ASER117
AHIS136
AGLY180
AILE181
AASP182
AGLN185
AALA203
AASN204
ALYS205
AGLU206
ATHR86
AASP231
ATRP296
AMET298
AGLY299
AMET360
AHOH1552
AHOH1560
AGLY87
ASER88
AILE89
ATYR113
AVAL114
AASN115
ALYS116

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE FOB A 502
ChainResidue
AASP231
ASER232
AGLU233
ASER269
ASER270
ATRP296
ASER306
AASN311
ALYS312
AGLU315
ACYS338
ANDP501
AMN504
AHOH1516
AHOH1523

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE FOQ A 503
ChainResidue
AASP231
ASER232
AGLU233
ASER269
ASER270
ATRP296
AMET298
ASER306
AASN311
ALYS312
AGLU315
ACYS338
ANDP501
AMN504
AHOH1516

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MN A 504
ChainResidue
AASP231
AGLU233
AGLU315

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 505
ChainResidue
ALYS245
AASN261

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE ACT A 506
ChainResidue
ATYR357

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 507
ChainResidue
AASP324

site_idAC8
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NDP B 501
ChainResidue
BGLY84
BTHR86
BGLY87
BSER88
BILE89
BTYR113
BVAL114
BASN115
BLYS116
BSER117
BHIS136
BGLY180
BILE181
BASP182
BGLN185
BALA203
BASN204
BLYS205
BGLU206
BASP231
BTRP296
BGLY299
BMET360
BHOH628
BHOH657

site_idAC9
Number of Residues17
DetailsBINDING SITE FOR RESIDUE FOB B 502
ChainResidue
BGLU315
BCYS338
BNDP501
BMN504
BHOH602
BHOH626
BLYS205
BASP231
BSER232
BGLU233
BSER269
BSER270
BTRP296
BMET298
BSER306
BASN311
BLYS312

site_idBC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE FOQ B 503
ChainResidue
BLYS205
BASP231
BSER232
BGLU233
BSER269
BSER270
BTRP296
BMET298
BSER306
BASN311
BLYS312
BGLU315
BCYS338
BMN504
BHOH626

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MN B 504
ChainResidue
BLYS205
BASP231
BGLU233
BGLU315

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MN B 505
ChainResidue
AASP242
AHOH1514
AHOH1542
BGLN239
BLEU241
BHOH623
BHOH654

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE MN B 506
ChainResidue
BASN452
BHOH615

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT B 507
ChainResidue
BGLN454
BHOH647

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 508
ChainResidue
BSER441
BSER445

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 509
ChainResidue
BPRO371
BASP372

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:22355528, ECO:0007744|PDB:3AU8, ECO:0007744|PDB:3AU9, ECO:0007744|PDB:3AUA
ChainResidueDetails
ATHR86
AASN115
BTHR86
BASN115

site_idSWS_FT_FI2
Number of Residues14
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P45568
ChainResidueDetails
ALYS205
BSER270
BHIS293
BSER306
BASN311
BLYS312
ASER232
ASER270
AHIS293
ASER306
AASN311
ALYS312
BLYS205
BSER232

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:22355528, ECO:0007744|PDB:3AU9, ECO:0007744|PDB:3AUA
ChainResidueDetails
AGLU206
AGLY299
BGLU206
BGLY299

site_idSWS_FT_FI4
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:22355528, ECO:0007744|PDB:3AU8
ChainResidueDetails
AASP231
AGLU233
AGLU315
BASP231
BGLU233
BGLU315

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PDB entries from 2024-07-24

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