2025-02-08_00000233|ligand|9DRV

Crystal structure of M. tuberculosis PheRS-tRNA complex bound to inhibitor D-004; X-ray diffraction 2.46Å
Protein #1 350 residues (98% resolved)

ENLYFQSNAMLSPEALTTAVDAAQQAIALADTLDVLARVKTEHLGDRSPLALARQALAVLPKEQRAEAGKRVNAARNAAQRSYDERLATLRAERDAAVLVAEGIDVTLPSTRVPAGARHPIIMLAEHVADTFIAMGWELAEGPEVETEQFNFDALNFPADHPARGEQDTFYIAPEDSRQLLRTHTSPVQIRTLLARELPVYIISIGRTFRTDELDATHTPIFHQVEGLAVDRGLSMAHLRGTLDAFARAEFGPSARTRIRPHFFPFTEPSAEVDVWFANKIGGAAWVEWGGCGMVHPNVLRATGIDPDLYSGFAFGMGLERTLQFRNGIPDMRDMVEGDVRFSLPFGVGA

ENLYFQSNAMLSPEALTTAVDAAQQAIALADTLDVLARVKTEHLGDRSPLALARQALAVLPKEQRAEAGKRVNAARNAAQRSYDERLATLRAERDAAVLVAEGIDVTLPSTRVPAGARHPIIMLAEHVADTFIAMGWELAEGPEVETEQFNFDALNFPADHPARGEQDTFYIAPEDSRQLLRTHTSPVQIRTLLARELPVYIISIGRTFRTDELDATHTPIFHQVEGLAVDRGLSMAHLRGTLDAFARAEFGPSARTRIRPHFFPFTEPSAEVDVWFANKIGGAAWVEWGGCGMVHPNVLRATGIDPDLYSGFAFGMGLERTLQFRNGIPDMRDMVEGDVRFSLPFGVGA
Protein #2 835 residues (100% resolved)

QSNAMRLPYSWLREVVAVGASGWDVTPGELEQTLLRIGHEVEEVIPLGPVDGPVTVGRVADIEELTGYKKPIRACAVDIGDRQYREIICGATNFAVGDLVVVALPGATLPGGFTISARKAYGRNSDGMICSAAELNLGADHSGILVLPPGAAEPGADGAGVLGLDDVVFHLAITPDRGYCMSVRGLARELACAYDLDFVDPASNSRVPPLPIEGPAWPLTVQPETGVRRFALRPVIGIDPAAVSPWWLQRRLLLCGIRATCPAVDVTNYVMLELGHPMHAHDRNRISGTLGVRFARSGETAVTLDGIERKLDTADVLIVDDAATAAIGGVMGAASTEVRADSTDVLLEAAIWDPAAVSRTQRRLHLPSEAARRYERTVDPAISVAALDRCARLLADIAGGEVSPTLTDWRGDPPCDDWSPPPIRMGVDVPDRIAGVAYPQGTTARRLAQIGAVVTHDGDTLTVTPPSWRPDLRQPADLVEEVLRLEGLEVIPSVLPPAPAGRGLTAGQQRRRTIGRSLALSGYVEILPTPFLPAGVFDLWGLEADDSRRMTTRVLNPLEADRPQLATTLLPALLEALVRNVSRGLVDVALFAIAQVVQPTEQTRGVGLIPVDRRPTDDEIAMLDASLPRQPQHVAAVLAGLREPRGPWGPGRPVEAADAFEAVRIIARASRVDVTLRPAQYLPWHPGRCAQVFVGESSVGHAGQLHPAVIERSGLPKGTCAVELNLDAIPCSAPLPAPRVSPYPAVFQDVSLVVAADIPAQAVADAVRAGAGDLLEDIALFDVFTGPQIGEHRKSLTFALRFRAPDRTLTEDDASAARDAAVQSAAERVGAVLRG

QSNAMRLPYSWLREVVAVGASGWDVTPGELEQTLLRIGHEVEEVIPLGPVDGPVTVGRVADIEELTGYKKPIRACAVDIGDRQYREIICGATNFAVGDLVVVALPGATLPGGFTISARKAYGRNSDGMICSAAELNLGADHSGILVLPPGAAEPGADGAGVLGLDDVVFHLAITPDRGYCMSVRGLARELACAYDLDFVDPASNSRVPPLPIEGPAWPLTVQPETGVRRFALRPVIGIDPAAVSPWWLQRRLLLCGIRATCPAVDVTNYVMLELGHPMHAHDRNRISGTLGVRFARSGETAVTLDGIERKLDTADVLIVDDAATAAIGGVMGAASTEVRADSTDVLLEAAIWDPAAVSRTQRRLHLPSEAARRYERTVDPAISVAALDRCARLLADIAGGEVSPTLTDWRGDPPCDDWSPPPIRMGVDVPDRIAGVAYPQGTTARRLAQIGAVVTHDGDTLTVTPPSWRPDLRQPADLVEEVLRLEGLEVIPSVLPPAPAGRGLTAGQQRRRTIGRSLALSGYVEILPTPFLPAGVFDLWGLEADDSRRMTTRVLNPLEADRPQLATTLLPALLEALVRNVSRGLVDVALFAIAQVVQPTEQTRGVGLIPVDRRPTDDEIAMLDASLPRQPQHVAAVLAGLREPRGPWGPGRPVEAADAFEAVRIIARASRVDVTLRPAQYLPWHPGRCAQVFVGESSVGHAGQLHPAVIERSGLPKGTCAVELNLDAIPCSAPLPAPRVSPYPAVFQDVSLVVAADIPAQAVADAVRAGAGDLLEDIALFDVFTGPQIGEHRKSLTFALRFRAPDRTLTEDDASAARDAAVQSAAERVGAVLRG
RNA #3 77 bases

GGCCAGGUAGCUCAGUCGGUAUGAGCGUCCGCCUGAAAAGCGGAAGGUCGGCGGUUCGAUCCCGCCCCUGGCCACCA

GGCCAGGUAGCUCAGUCGGUAUGAGCGUCCGCCUGAAAAGCGGAAGGUCGGCGGUUCGAUCCCGCCCCUGGCCACCA
Non polymer #4 2AQ

InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)

c1ccc2c(c1)ccc(n2)N
Non polymer #5 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #6 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #7 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #8 EPE

InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

C1CN(CCN1CCO)CCS(=O)(=O)O
Non polymer #9 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #10 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference