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3U16

Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Functional Information from GO Data
ChainGOidnamespacecontents
A0008668molecular_function2,3-dihydroxybenzoate--[aryl-carrier protein] ligase
A0019290biological_processsiderophore biosynthetic process
B0008668molecular_function2,3-dihydroxybenzoate--[aryl-carrier protein] ligase
B0019290biological_processsiderophore biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE H89 A 543
ChainResidue
APRO238
AMET339
AHIS241
AASN242
APHE243
ASER247
APRO266
AGLY314
APHE337
AGLY338

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 544
ChainResidue
AGLN53
AGLU58
AHOH784
AHOH785
AHOH794
BASP171

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 545
ChainResidue
AGLN305
ALEU307
AASN330
AHOH780
AHOH781
BASP302

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 546
ChainResidue
AGLU327
AASN330
AHOH619
AHOH620
AHOH782
BGLN279

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 547
ChainResidue
ASER418
AHOH575
AHOH576
AHOH577
AHOH647

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD A 548
ChainResidue
ACYS225
AGLY226
ATHR231
AASN281
AMET282
ALEU349

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE H89 B 543
ChainResidue
BPRO238
BHIS241
BASN242
BPHE243
BSER247
BPRO266
BGLY314
BGLY338
BMET339
BARG435

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 544
ChainResidue
BSER418
BHOH562
BHOH563
BHOH591
BHOH654
BHOH795

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 545
ChainResidue
BGLN305
BLEU307
BASN330
BHOH566
BHOH567
BHOH568
BHOH569

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MRD B 546
ChainResidue
BGLY226
BLEU227
BTHR231
BASN281
BMET282
BHOH770
BHOH781

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. FQLSGGSTGtPK
ChainResidueDetails
APHE194-LYS205

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PDB entries from 2024-07-17

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