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6C0L

Crystal structure of HIV-1 E138K 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
APRO95
APHE227
ATRP229
ALEU234
AHIS235
ATYR318
ASO4607
AHOH853
AHOH913
BHOH711
ALEU100
ALYS101
ALYS103
ALYS104
AVAL106
AVAL179
ATYR181
ATYR188

site_idAC2
Number of Residues7
Detailsbinding site for residue MG A 602
ChainResidue
AASP443
AASP498
AASP549
AHOH704
AHOH804
AHOH910
AHOH930

site_idAC3
Number of Residues6
Detailsbinding site for residue SO4 A 604
ChainResidue
AMET41
ALYS73
ATYR146
APRO150
AGLN151
AHOH836

site_idAC4
Number of Residues3
Detailsbinding site for residue SO4 A 605
ChainResidue
ALYS331
AGLN334
ALYS512

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 606
ChainResidue
ASER515
AGLU516
ALEU517
AHOH720

site_idAC6
Number of Residues6
Detailsbinding site for residue SO4 A 607
ChainResidue
ALYS101
ALYS103
AVAL179
AK5A601
AHOH853
BLYS138

site_idAC7
Number of Residues6
Detailsbinding site for residue EDO A 608
ChainResidue
ALEU425
ATRP426
ATYR427
AGLN509
AASP511
AHOH850

site_idAC8
Number of Residues7
Detailsbinding site for residue EDO A 609
ChainResidue
ALEU486
ASER489
AGLY490
ALEU491
AGLN524
ALYS528
AHOH792

site_idAC9
Number of Residues4
Detailsbinding site for residue EDO A 610
ChainResidue
ATRP88
BLYS22
BHOH683
BHOH744

site_idAD1
Number of Residues8
Detailsbinding site for residue EDO A 611
ChainResidue
AGLN161
AILE180
ATYR181
AGLN182
AHOH899
BLYS138
BTHR139
BPRO140

site_idAD2
Number of Residues5
Detailsbinding site for residue EDO A 612
ChainResidue
AARG448
ATHR473
AASN474
AGLN475
AHOH911

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO A 613
ChainResidue
AGLU6
ALYS166
AHOH1033
BLYS49

site_idAD4
Number of Residues1
Detailsbinding site for residue EDO A 614
ChainResidue
AGLN269

site_idAD5
Number of Residues4
Detailsbinding site for residue EDO A 615
ChainResidue
AGLU396
AGLU399
ATHR400
AHOH876

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO A 616
ChainResidue
AARG463
AASP488
ASER489
AGLY490
AHOH862

site_idAD7
Number of Residues7
Detailsbinding site for residue EDO A 617
ChainResidue
ATYR532
ALEU533
AALA534
AHOH723
AHOH728
AHOH761
AHOH796

site_idAD8
Number of Residues1
Detailsbinding site for residue EDO A 618
ChainResidue
AGLN394

site_idAD9
Number of Residues8
Detailsbinding site for residue EDO A 619
ChainResidue
ALYS528
AGLU529
AVAL531
AHOH730
AHOH894
ATYR427
AGLN428
ALEU525

site_idAE1
Number of Residues6
Detailsbinding site for residue EDO A 620
ChainResidue
AASN136
AASN137
AHOH933
BGLU328
BTYR342
BHOH721

site_idAE2
Number of Residues4
Detailsbinding site for residue EDO A 621
ChainResidue
ALYS101
AASP320
APRO321
ASER322

site_idAE3
Number of Residues5
Detailsbinding site for residue EDO A 622
ChainResidue
ATHR377
AGLU378
AVAL381
AHOH825
AHOH946

site_idAE4
Number of Residues4
Detailsbinding site for residue EDO A 623
ChainResidue
AASN54
AARG143
AHOH733
AHOH746

site_idAE5
Number of Residues4
Detailsbinding site for residue SO4 B 501
ChainResidue
AGLN85
BGLU53
BPRO55
BTYR56

site_idAE6
Number of Residues8
Detailsbinding site for residue SO4 B 502
ChainResidue
ATHR403
AGLU404
ATYR405
ATRP406
BLYS331
BGLN332
BLYS424
BHOH826

site_idAE7
Number of Residues4
Detailsbinding site for residue SO4 B 503
ChainResidue
BLYS275
BVAL276
BARG277
BHOH777

site_idAE8
Number of Residues5
Detailsbinding site for residue SO4 B 504
ChainResidue
BLEU234
BHIS235
BTRP239
BEDO509
BHOH693

site_idAE9
Number of Residues5
Detailsbinding site for residue EDO B 505
ChainResidue
BTRP24
BGLU399
BTRP402
BHOH607
BHOH610

site_idAF1
Number of Residues10
Detailsbinding site for residue EDO B 506
ChainResidue
BVAL75
BPHE77
BARG78
BASN81
BGLY152
BTRP410
BILE411
BHOH620
BHOH696
BHOH714

site_idAF2
Number of Residues7
Detailsbinding site for residue EDO B 507
ChainResidue
ATRP88
AVAL90
ASER162
AHOH1051
BILE50
BHOH646
BHOH694

site_idAF3
Number of Residues5
Detailsbinding site for residue EDO B 508
ChainResidue
BVAL108
BASP186
BHOH645
BHOH656
BHOH701

site_idAF4
Number of Residues4
Detailsbinding site for residue EDO B 509
ChainResidue
BTYR232
BLYS374
BGLU378
BSO4504

site_idAF5
Number of Residues5
Detailsbinding site for residue EDO B 510
ChainResidue
AILE380
BTHR27
BTHR400
BGLU404
BHOH704

site_idAF6
Number of Residues4
Detailsbinding site for residue EDO B 511
ChainResidue
BPRO157
BTYR183
BMET184
BHOH700

site_idAF7
Number of Residues4
Detailsbinding site for residue EDO B 512
ChainResidue
AGLU138
BTRP426
BHOH667
BHOH733

site_idAF8
Number of Residues9
Detailsbinding site for residue EDO B 513
ChainResidue
AGLU432
APRO433
AHOH784
BTHR253
BASN255
BASP256
BLYS259
BHOH649
BHOH662

site_idAF9
Number of Residues6
Detailsbinding site for residue EDO B 514
ChainResidue
BLYS66
BTYR232
BGLN373
BALA408
BHOH795
BHOH802

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

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PDB entries from 2024-07-24

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