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6C0K

Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2

Functional Information from GO Data
ChainGOidnamespacecontents
A0003676molecular_functionnucleic acid binding
A0003964molecular_functionRNA-directed DNA polymerase activity
A0004523molecular_functionRNA-DNA hybrid ribonuclease activity
A0006278biological_processRNA-templated DNA biosynthetic process
B0003964molecular_functionRNA-directed DNA polymerase activity
B0006278biological_processRNA-templated DNA biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue K5A A 601
ChainResidue
ALYS101
ALEU234
AHIS235
APRO236
ATYR318
AHOH797
AHOH819
AHOH915
BPRO95
BGLU138
AASN103
ALYS104
AVAL106
AVAL179
ATYR181
ATYR188
APHE227
ATRP229

site_idAC2
Number of Residues7
Detailsbinding site for residue MG A 602
ChainResidue
AASP443
AASP498
AASP549
AHOH716
AHOH873
AHOH972
AHOH983

site_idAC3
Number of Residues6
Detailsbinding site for residue DMS A 603
ChainResidue
APRO243
AILE244
ATYR271
ALEU310
AGLU312
APRO313

site_idAC4
Number of Residues4
Detailsbinding site for residue SO4 A 604
ChainResidue
ALYS104
BPRO97
BALA98
BGLY99

site_idAC5
Number of Residues5
Detailsbinding site for residue SO4 A 605
ChainResidue
ALYS73
ATYR146
APRO150
AGLN151
AHOH803

site_idAC6
Number of Residues5
Detailsbinding site for residue SO4 A 606
ChainResidue
ALYS331
AGLY333
AGLN334
ALYS512
AHOH841

site_idAC7
Number of Residues4
Detailsbinding site for residue SO4 A 607
ChainResidue
ALYS476
ASER515
AGLU516
ALEU517

site_idAC8
Number of Residues5
Detailsbinding site for residue SO4 A 608
ChainResidue
ATYR427
AGLN428
ALEU525
ALYS528
AGLU529

site_idAC9
Number of Residues6
Detailsbinding site for residue EDO A 609
ChainResidue
AGLU6
ALYS166
AHOH943
AHOH964
BLYS49
BILE50

site_idAD1
Number of Residues3
Detailsbinding site for residue EDO A 610
ChainResidue
ALYS166
APRO170
ATRP212

site_idAD2
Number of Residues4
Detailsbinding site for residue EDO A 611
ChainResidue
AARG463
AASP488
ASER489
AGLY490

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO A 612
ChainResidue
ATHR473
AASN474
AGLN475
AHOH864

site_idAD4
Number of Residues6
Detailsbinding site for residue EDO A 613
ChainResidue
ASER268
ATYR339
AGLY352
ALYS353
ALYS374
AHOH1025

site_idAD5
Number of Residues5
Detailsbinding site for residue EDO A 614
ChainResidue
ALEU425
ATRP426
ATYR427
AGLN509
AHOH875

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO A 615
ChainResidue
ALEU486
ASER489
AGLN524
ALYS528

site_idAD7
Number of Residues4
Detailsbinding site for residue EDO A 616
ChainResidue
ATRP88
BLYS20
BLYS22
BHOH622

site_idAD8
Number of Residues8
Detailsbinding site for residue EDO A 617
ChainResidue
AGLU404
ATYR405
ATRP406
AGLN507
AGLN509
BLYS424
BSO4503
BHOH746

site_idAD9
Number of Residues3
Detailsbinding site for residue EDO A 618
ChainResidue
ATRP153
APRO157
AGLY152

site_idAE1
Number of Residues6
Detailsbinding site for residue EDO A 619
ChainResidue
ATRP426
AASP511
ALYS512
AGLU523
AHOH708
AHOH767

site_idAE2
Number of Residues5
Detailsbinding site for residue EDO A 620
ChainResidue
AARG277
ALYS281
AGLN334
AARG356
AHOH727

site_idAE3
Number of Residues3
Detailsbinding site for residue EDO A 621
ChainResidue
APRO272
AGLN330
ATHR338

site_idAE4
Number of Residues6
Detailsbinding site for residue EDO A 622
ChainResidue
ALYS101
ATYR319
APRO321
AHOH801
BGLU28
BILE135

site_idAE5
Number of Residues5
Detailsbinding site for residue EDO A 623
ChainResidue
ALEU429
AGLU430
ALYS431
AGLN507
AHOH951

site_idAE6
Number of Residues8
Detailsbinding site for residue EDO A 624
ChainResidue
ALEU26
AGLU28
AILE31
AILE135
AASN136
AHOH711
AHOH798
BLYS390

site_idAE7
Number of Residues7
Detailsbinding site for residue DMS B 501
ChainResidue
AILE380
BTHR27
BTHR400
BTRP401
BTHR403
BGLU404
BEDO520

site_idAE8
Number of Residues6
Detailsbinding site for residue SO4 B 502
ChainResidue
BTYR56
BLYS126
BHOH677
BHOH783
BHOH794
BHOH809

site_idAE9
Number of Residues7
Detailsbinding site for residue SO4 B 503
ChainResidue
ATHR403
AGLU404
ATYR405
AEDO617
BLYS331
BGLN332
BLYS424

site_idAF1
Number of Residues7
Detailsbinding site for residue SO4 B 504
ChainResidue
AGLU138
AGLN500
ATRP535
BGLN269
BLEU422
BTRP426
BHOH696

site_idAF2
Number of Residues4
Detailsbinding site for residue SO4 B 505
ChainResidue
BLYS275
BVAL276
BARG277
BHOH788

site_idAF3
Number of Residues4
Detailsbinding site for residue SO4 B 506
ChainResidue
BLEU234
BHIS235
BTRP239
BHOH780

site_idAF4
Number of Residues7
Detailsbinding site for residue EDO B 507
ChainResidue
BGLU328
BILE329
BGLN330
BLYS390
BPRO392
BPRO421
BHOH678

site_idAF5
Number of Residues6
Detailsbinding site for residue EDO B 508
ChainResidue
BVAL75
BPHE77
BASN81
BGLY152
BILE411
BHOH810

site_idAF6
Number of Residues4
Detailsbinding site for residue EDO B 509
ChainResidue
BTYR183
BLYS385
BTHR386
BHOH772

site_idAF7
Number of Residues6
Detailsbinding site for residue EDO B 510
ChainResidue
BTRP24
BGLU399
BTRP402
BTHR403
BEDO520
BHOH642

site_idAF8
Number of Residues6
Detailsbinding site for residue EDO B 511
ChainResidue
BTYR339
BGLY352
BLYS353
BTYR354
BHOH613
BHOH751

site_idAF9
Number of Residues3
Detailsbinding site for residue EDO B 512
ChainResidue
BGLU370
BLYS374
BHOH791

site_idAG1
Number of Residues8
Detailsbinding site for residue EDO B 513
ChainResidue
AALA534
ATRP535
AHOH802
AHOH882
AHOH996
BASN255
BGLN258
BLYS259

site_idAG2
Number of Residues7
Detailsbinding site for residue EDO B 514
ChainResidue
BPRO133
BSER134
BASN137
BGLY141
BHOH676
BHOH689
BHOH806

site_idAG3
Number of Residues6
Detailsbinding site for residue EDO B 515
ChainResidue
BILE244
BVAL245
BLYS263
BTRP266
BTRP426
BHOH775

site_idAG4
Number of Residues5
Detailsbinding site for residue EDO B 516
ChainResidue
BTHR290
BGLU291
BVAL292
BHOH614
BHOH807

site_idAG5
Number of Residues5
Detailsbinding site for residue EDO B 517
ChainResidue
BPRO157
BGLN182
BTYR183
BMET184
BHOH675

site_idAG6
Number of Residues8
Detailsbinding site for residue EDO B 518
ChainResidue
ATRP410
BGLU248
BLYS249
BARG307
BTHR362
BHOH625
BHOH647
BHOH737

site_idAG7
Number of Residues6
Detailsbinding site for residue EDO B 519
ChainResidue
BLYS65
BASP186
BALA408
BTHR409
BTRP410
BHOH636

site_idAG8
Number of Residues6
Detailsbinding site for residue EDO B 520
ChainResidue
ATHR377
BGLU399
BTHR400
BDMS501
BEDO510
BHOH727

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsBINDING:
ChainResidueDetails
BASP110
BASP185
BASP186

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Essential for RT p66/p51 heterodimerization
ChainResidueDetails
BTRP401
BTRP414
AASP498
AASP549

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Essential for RT p66/p51 heterodimerization
ChainResidueDetails
ATRP401
ATRP414

site_idSWS_FT_FI4
Number of Residues1
DetailsSITE: Cleavage; by viral protease; partial
ChainResidueDetails
APHE440

221051

PDB entries from 2024-06-12

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