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6CHP

Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0004595molecular_functionpantetheine-phosphate adenylyltransferase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0009058biological_processbiosynthetic process
A0015937biological_processcoenzyme A biosynthetic process
A0016779molecular_functionnucleotidyltransferase activity
A0042802molecular_functionidentical protein binding
B0003824molecular_functioncatalytic activity
B0004595molecular_functionpantetheine-phosphate adenylyltransferase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0009058biological_processbiosynthetic process
B0015937biological_processcoenzyme A biosynthetic process
B0016779molecular_functionnucleotidyltransferase activity
B0042802molecular_functionidentical protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues16
Detailsbinding site for residue F0Y A 201
ChainResidue
ATHR10
AARG88
ALEU102
AASN106
AHIS138
ASO4202
AHOH342
AHOH357
AALA37
AALA38
ASER39
ASER71
AASP72
ALEU73
AMET74
ALEU86

site_idAC2
Number of Residues8
Detailsbinding site for residue SO4 A 202
ChainResidue
ASER39
APRO40
ASER41
AARG137
AHIS138
AF0Y201
AHOH357
AHOH387

site_idAC3
Number of Residues8
Detailsbinding site for residue SO4 A 203
ChainResidue
AHIS18
AARG91
ASER128
ASER129
AHOH310
AHOH323
AHOH327
AHOH332

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 A 204
ChainResidue
ASER121
ALYS122
AHOH308
BHIS104
BARG107
BHOH330

site_idAC5
Number of Residues4
Detailsbinding site for residue PG4 A 205
ChainResidue
AASN16
AASP20
ATHR23
ATRP124

site_idAC6
Number of Residues15
Detailsbinding site for residue F0Y B 201
ChainResidue
BTHR10
BALA37
BALA38
BSER39
BSER71
BASP72
BLEU73
BMET74
BARG88
BLEU102
BASN106
BPG4205
BHOH354
BHOH360
BHOH370

site_idAC7
Number of Residues5
Detailsbinding site for residue SO4 B 202
ChainResidue
AHIS104
AARG107
BSER121
BLYS122
BHOH306

site_idAC8
Number of Residues7
Detailsbinding site for residue SO4 B 203
ChainResidue
BHIS18
BARG91
BSER128
BSER129
BHOH314
BHOH325
BHOH365

site_idAC9
Number of Residues7
Detailsbinding site for residue PG4 B 204
ChainResidue
BASN16
BILE19
BASP20
BTHR23
BARG24
BGLN27
BHOH303

site_idAD1
Number of Residues2
Detailsbinding site for residue PG4 B 205
ChainResidue
BTYR98
BF0Y201

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues10
DetailsBINDING: BINDING => ECO:0000269|PubMed:11812124, ECO:0007744|PDB:1GN8
ChainResidueDetails
ATYR7
BTRP124
AHIS18
AGLY89
AGLU99
ATRP124
BTYR7
BHIS18
BGLY89
BGLU99

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:11812124, ECO:0000269|PubMed:12837781, ECO:0007744|PDB:1H1T, ECO:0007744|PDB:1QJC
ChainResidueDetails
ATHR10
ALYS42
AMET74
BTHR10
BLYS42
BMET74

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:11812124, ECO:0007744|PDB:1QJC
ChainResidueDetails
AARG88
BARG88

site_idSWS_FT_FI4
Number of Residues2
DetailsSITE: Transition state stabilizer => ECO:0000305|PubMed:11812124
ChainResidueDetails
AHIS18
BHIS18

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 299
ChainResidueDetails
AHIS18electrostatic stabiliser, hydrogen bond donor
ALYS42attractive charge-charge interaction, electrostatic stabiliser
AARG91attractive charge-charge interaction, electrostatic stabiliser
ASER129electrostatic stabiliser, hydrogen bond donor

site_idMCSA2
Number of Residues4
DetailsM-CSA 299
ChainResidueDetails
BHIS18electrostatic stabiliser, hydrogen bond donor
BLYS42attractive charge-charge interaction, electrostatic stabiliser
BARG91attractive charge-charge interaction, electrostatic stabiliser
BSER129electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-10-09

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