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4RVN

Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution

Replaces:  4R1XReplaces:  3QOV
Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0010124biological_processphenylacetate catabolic process
A0016874molecular_functionligase activity
A0046872molecular_functionmetal ion binding
A0047475molecular_functionphenylacetate-CoA ligase activity
B0000166molecular_functionnucleotide binding
B0010124biological_processphenylacetate catabolic process
B0016874molecular_functionligase activity
B0046872molecular_functionmetal ion binding
B0047475molecular_functionphenylacetate-CoA ligase activity
C0000166molecular_functionnucleotide binding
C0010124biological_processphenylacetate catabolic process
C0016874molecular_functionligase activity
C0046872molecular_functionmetal ion binding
C0047475molecular_functionphenylacetate-CoA ligase activity
D0000166molecular_functionnucleotide binding
D0010124biological_processphenylacetate catabolic process
D0016874molecular_functionligase activity
D0046872molecular_functionmetal ion binding
D0047475molecular_functionphenylacetate-CoA ligase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 501
ChainResidue
ACYS251
AHIS258
ACYS313
ACYS315

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE AMP A 502
ChainResidue
APHE237
AGLY238
AMSE239
ATHR240
AASP304
AILE325
AARG328
AILE334
AASN339
AK504
AHOH614
AHOH623
AHOH651
AHOH657
AHOH715
AALA214
AGLU215
APRO216
AASN235
ASER236

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE COA A 503
ChainResidue
ASER135
AALA163
AGLY164
AASN165
ASER166
AILE184
ATYR187
AARG190
ALYS336
ATHR407
AHOH672
AHOH744

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K A 504
ChainResidue
AALA214
AGLY337
AASN339
AAMP502

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 505
ChainResidue
ALYS128
AGLY155
ALEU157
BMSE83
BLYS84
BGLY87

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE K A 506
ChainResidue
AMSE83
ALYS84
AGLY87
AHOH661
BLYS128
BGLY155
BLEU157

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 508
ChainResidue
AGLY47
ASER52
ALYS61
CLYS84
CARG85

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 509
ChainResidue
AARG394
AHOH793
DARG393
DARG394

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 510
ChainResidue
AASN31
AALA34
AILE48
ATHR49

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 511
ChainResidue
ALYS45
DTYR5
DTRP6
DEDO506

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 512
ChainResidue
AMSE70
ATYR74
APRO75
ATHR101
AVAL102
AMSE295

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 513
ChainResidue
AGLN22
AGLU261
AVAL266
AHOH781

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 514
ChainResidue
AGLU293
AHOH641
AHOH806

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 501
ChainResidue
BCYS251
BHIS258
BCYS313
BCYS315

site_idBC6
Number of Residues17
DetailsBINDING SITE FOR RESIDUE AMP B 502
ChainResidue
BARG328
BLYS424
BHOH643
BHOH679
BHOH716
BSER94
BALA214
BGLU215
BPRO216
BASN235
BSER236
BPHE237
BGLY238
BMSE239
BTHR240
BASP304
BILE325

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 504
ChainResidue
BASN165
BSER166
BTYR187
BARG190

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 505
ChainResidue
BASN46
BARG60
BLYS61
CLYS128

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 501
ChainResidue
CCYS251
CHIS258
CCYS313
CCYS315

site_idCC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE AMP C 502
ChainResidue
CALA214
CGLU215
CPRO216
CASN235
CSER236
CGLY238
CMSE239
CTHR240
CASP304
CILE325
CARG328
CILE334
CASN339
CK504
CHOH626
CHOH633
CHOH636
CHOH689
CHOH705

site_idCC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE COA C 503
ChainResidue
CSER135
CGLY164
CASN165
CSER166
CILE184
CTYR187
CARG190
CLYS336
CTHR407
CHOH627
CHOH731

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K C 504
ChainResidue
CALA214
CGLY337
CASN339
CAMP502

site_idCC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE K C 505
ChainResidue
CMSE83
CLYS84
CGLY87
DLYS128
DGLY155
DLEU157
DHOH602

site_idCC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE K C 506
ChainResidue
CLYS128
CGLY155
CLEU157
DMSE83
DLYS84
DGLY87
DHOH621

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 508
ChainResidue
BARG393
CARG393
CARG394
CHOH707

site_idCC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO C 509
ChainResidue
CTRP6
CTYR122

site_idCC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO C 510
ChainResidue
AGLU275
CGLU293
CHOH706

site_idCC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO C 511
ChainResidue
CLYS67
CSER68
CARG303
CASP330

site_idDC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 501
ChainResidue
DCYS251
DHIS258
DCYS313
DCYS315

site_idDC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AMP D 502
ChainResidue
DALA214
DPRO216
DASN235
DSER236
DGLY238
DMSE239
DTHR240
DASP304
DILE325
DARG328
DLYS424
DHOH643

site_idDC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 504
ChainResidue
DASN165
DSER166
DTYR187
DARG190

site_idDC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO D 505
ChainResidue
DARG60
DLYS61
DARG299

site_idDC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO D 506
ChainResidue
AEDO511
DTRP6
DGLU7
DASN115

Functional Information from PROSITE/UniProt
site_idPS00697
Number of Residues9
DetailsDNA_LIGASE_A1 ATP-dependent DNA ligase AMP-binding site. DMKRDGVRI
ChainResidueDetails
AASP82-ILE90

225946

PDB entries from 2024-10-09

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