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5JNL

Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese

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 Residues22
Detailsbinding site for residue L54 A 501
ChainResidue
ALYS205
ASER306
AASN311
ALYS312
AGLU315
AHIS341
APRO358
AASP359
AMET360
AMN502
AHOH604
AASP231
AHOH610
AHOH621
AHOH659
ASER232
AGLU233
ASER269
ASER270
AGLY271
ALYS295
ATRP296

site_idAC2
Number of Residues5
Detailsbinding site for residue MN A 502
ChainResidue
ALYS205
AASP231
AGLU233
AGLU315
AL54501

site_idAC3
Number of Residues9
Detailsbinding site for residue GOL A 503
ChainResidue
ASER232
AGLU233
ACYS268
ASER269
ASER270
AHIS335
ACYS338
AILE340
AHIS341

site_idAC4
Number of Residues13
Detailsbinding site for residue GOL A 504
ChainResidue
ACYS240
ALEU241
AASP242
APHE346
AHOH601
AHOH603
AHOH606
AHOH641
BGLN239
BCYS240
BLEU241
BASP242
BHOH602

site_idAC5
Number of Residues2
Detailsbinding site for residue EDO A 505
ChainResidue
AASN115
AGLN185

site_idAC6
Number of Residues8
Detailsbinding site for residue EDO A 506
ChainResidue
ASER210
AALA211
AGLY212
APHE213
AASN413
APHE414
APRO416
ATHR417

site_idAC7
Number of Residues6
Detailsbinding site for residue EDO A 507
ChainResidue
ALYS264
AGLU331
AHOH605
AHOH686
BLEU381
BASP382

site_idAC8
Number of Residues22
Detailsbinding site for residue L54 B 501
ChainResidue
BLYS205
BASP231
BSER232
BGLU233
BSER269
BSER270
BGLY271
BGLY272
BSER306
BASN311
BLYS312
BGLU315
BHIS341
BPRO358
BASP359
BMET360
BMN502
BGOL503
BEDO506
BHOH603
BHOH604
BHOH648

site_idAC9
Number of Residues5
Detailsbinding site for residue MN B 502
ChainResidue
BLYS205
BASP231
BGLU233
BGLU315
BL54501

site_idAD1
Number of Residues10
Detailsbinding site for residue GOL B 503
ChainResidue
BILE340
BHIS341
BL54501
BSER232
BGLU233
BCYS268
BSER269
BSER270
BHIS335
BCYS338

site_idAD2
Number of Residues11
Detailsbinding site for residue GOL B 504
ChainResidue
BLYS223
BLEU247
BTHR249
BGLN253
BASN284
BTHR286
BGLU288
BASN289
BHOH633
BHOH672
BHOH700

site_idAD3
Number of Residues9
Detailsbinding site for residue EDO B 505
ChainResidue
BVAL209
BSER210
BALA211
BGLY212
BPHE213
BASN413
BPHE414
BPRO416
BTHR417

site_idAD4
Number of Residues8
Detailsbinding site for residue EDO B 506
ChainResidue
BILE89
BVAL230
BASP231
BSER232
BMET360
BPRO363
BL54501
BHOH680

site_idAD5
Number of Residues4
Detailsbinding site for residue EDO B 507
ChainResidue
BASP439
BSER442
BGLN446
BHIS485

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO B 508
ChainResidue
BSER257
BVAL325
BASP326
BASP329

site_idAD7
Number of Residues5
Detailsbinding site for residue EDO B 509
ChainResidue
BLYS223
BLYS434
BLYS436
BHOH619
BHOH804

site_idAD8
Number of Residues3
Detailsbinding site for residue EDO B 510
ChainResidue
BASN95
BARG98
BGLN124

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:O96693
ChainResidueDetails
BTHR86
BASN115
BGLU206
BGLY299
AGLU206
AGLY299
ATHR86
AASN115

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

site_idSWS_FT_FI3
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:25781377, ECO:0000269|PubMed:27487410, ECO:0007744|PDB:4Y67, ECO:0007744|PDB:4Y6P, ECO:0007744|PDB:4Y6R, ECO:0007744|PDB:4Y6S, ECO:0007744|PDB:5JAZ, ECO:0007744|PDB:5JBI, ECO:0007744|PDB:5JC1, ECO:0007744|PDB:5JMP, ECO:0007744|PDB:5JMW, ECO:0007744|PDB:5JNL, ECO:0007744|PDB:5JO0
ChainResidueDetails
BGLU233
BGLU315
AASP231
AGLU233
AGLU315
BASP231

219869

PDB entries from 2024-05-15

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