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4P3O

Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 2

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004812molecular_functionaminoacyl-tRNA ligase activity
A0004829molecular_functionthreonine-tRNA ligase activity
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0006418biological_processtRNA aminoacylation for protein translation
A0006435biological_processthreonyl-tRNA aminoacylation
B0000166molecular_functionnucleotide binding
B0004812molecular_functionaminoacyl-tRNA ligase activity
B0004829molecular_functionthreonine-tRNA ligase activity
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0006418biological_processtRNA aminoacylation for protein translation
B0006435biological_processthreonyl-tRNA aminoacylation
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 701
ChainResidue
ACYS334
AHIS385
AHIS511
AHOH899

site_idAC2
Number of Residues13
Detailsbinding site for residue 2CR A 702
ChainResidue
AGLN381
ATYR462
ATHR482
AASP486
AHIS511
AHOH832
AHOH860
AHOH935
AGLY308
AHIS309
AMET332
ACYS334
AARG363

site_idAC3
Number of Residues8
Detailsbinding site for residue GOL A 703
ChainResidue
AGLN291
AILE340
APHE341
AGLN343
ALYS346
AHOH833
AHOH947
BASP252

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL A 704
ChainResidue
AASP252
AHIS267
BGLN291
BILE340
BPHE341
BGLN343
BLYS346

site_idAC5
Number of Residues8
Detailsbinding site for residue GOL A 705
ChainResidue
AVAL264
ATRP266
AGLU519
AHOH869
AHOH956
BLYS294
BGLY295
BPRO296

site_idAC6
Number of Residues4
Detailsbinding site for residue ZN B 701
ChainResidue
BCYS334
BHIS385
BHIS511
BHOH879

site_idAC7
Number of Residues13
Detailsbinding site for residue 2CR B 702
ChainResidue
BGLY308
BHIS309
BMET332
BCYS334
BARG363
BGLN381
BTYR462
BTHR482
BASP486
BLEU489
BHIS511
BHOH829
BHOH867

site_idAC8
Number of Residues6
Detailsbinding site for residue GOL B 703
ChainResidue
AGLU390
BTRP310
BASP311
BLYS314
BHOH802
BHOH813

site_idAC9
Number of Residues8
Detailsbinding site for residue GOL B 704
ChainResidue
ALYS294
AGLY295
APHE297
BVAL264
BTRP266
BTHR380
BGLU519
BHOH850

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:11953757
ChainResidueDetails
ALYS246
AASN342
ALEU489
AASP615
BLYS246
BASN342
BLEU489
BASP615

site_idSWS_FT_FI2
Number of Residues10
DetailsBINDING: BINDING => ECO:0000269|PubMed:10319817, ECO:0007744|PDB:1QF6
ChainResidueDetails
AHIS309
BSER517
AVAL376
AGLN381
AGLN479
ASER517
BHIS309
BVAL376
BGLN381
BGLN479

site_idSWS_FT_FI3
Number of Residues28
DetailsBINDING: BINDING => ECO:0000269|PubMed:10319817
ChainResidueDetails
ATYR313
AILE547
AASN575
AARG589
AVAL595
AARG609
BTYR313
BARG325
BTYR348
BARG363
BARG375
AARG325
BPHE379
BTYR462
BGLN484
BARG520
BILE547
BASN575
BARG589
BVAL595
BARG609
ATYR348
AARG363
AARG375
APHE379
ATYR462
AGLN484
AARG520

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00184, ECO:0000269|PubMed:10319817, ECO:0000269|PubMed:10881191, ECO:0000269|PubMed:11136973, ECO:0000269|PubMed:11953757
ChainResidueDetails
ACYS334
AHIS385
BCYS334
BHIS385

site_idSWS_FT_FI5
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00184, ECO:0000269|PubMed:10319817, ECO:0000269|PubMed:10881191, ECO:0000269|PubMed:11136973
ChainResidueDetails
AHIS511
BHIS511

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0000255|HAMAP-Rule:MF_00184, ECO:0000269|PubMed:18723842
ChainResidueDetails
ALYS286
BLYS286

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 540
ChainResidueDetails
ACYS334electrostatic stabiliser, metal ligand
AARG363electrostatic stabiliser
AGLN381electrostatic stabiliser
AASP383electrostatic stabiliser
AHIS385metal ligand
ALYS465electrostatic stabiliser
AHIS511metal ligand

site_idMCSA2
Number of Residues7
DetailsM-CSA 540
ChainResidueDetails
BCYS334electrostatic stabiliser, metal ligand
BARG363electrostatic stabiliser
BGLN381electrostatic stabiliser
BASP383electrostatic stabiliser
BHIS385metal ligand
BLYS465electrostatic stabiliser
BHIS511metal ligand

218853

PDB entries from 2024-04-24

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