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3U18

Chicago Sky Blue 6B, A Novel Inhibitor for Macrophage Migration Inhibitory Factor

Functional Information from GO Data
ChainGOidnamespacecontents
A0001516biological_processprostaglandin biosynthetic process
A0001819biological_processpositive regulation of cytokine production
A0001934biological_processpositive regulation of protein phosphorylation
A0002020molecular_functionprotease binding
A0002906biological_processnegative regulation of mature B cell apoptotic process
A0004167molecular_functiondopachrome isomerase activity
A0005125molecular_functioncytokine activity
A0005126molecular_functioncytokine receptor binding
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005886cellular_componentplasma membrane
A0006954biological_processinflammatory response
A0007166biological_processcell surface receptor signaling pathway
A0008284biological_processpositive regulation of cell population proliferation
A0009986cellular_componentcell surface
A0010629biological_processnegative regulation of gene expression
A0010739biological_processpositive regulation of protein kinase A signaling
A0010760biological_processnegative regulation of macrophage chemotaxis
A0016853molecular_functionisomerase activity
A0019752biological_processcarboxylic acid metabolic process
A0030330biological_processDNA damage response, signal transduction by p53 class mediator
A0030336biological_processnegative regulation of cell migration
A0030890biological_processpositive regulation of B cell proliferation
A0031666biological_processpositive regulation of lipopolysaccharide-mediated signaling pathway
A0031982cellular_componentvesicle
A0032760biological_processpositive regulation of tumor necrosis factor production
A0033033biological_processnegative regulation of myeloid cell apoptotic process
A0033138biological_processpositive regulation of peptidyl-serine phosphorylation
A0034774cellular_componentsecretory granule lumen
A0042056molecular_functionchemoattractant activity
A0042127biological_processregulation of cell population proliferation
A0042327biological_processpositive regulation of phosphorylation
A0042802molecular_functionidentical protein binding
A0043030biological_processregulation of macrophage activation
A0043066biological_processnegative regulation of apoptotic process
A0043518biological_processnegative regulation of DNA damage response, signal transduction by p53 class mediator
A0045087biological_processinnate immune response
A0048146biological_processpositive regulation of fibroblast proliferation
A0050178molecular_functionphenylpyruvate tautomerase activity
A0050731biological_processpositive regulation of peptidyl-tyrosine phosphorylation
A0050918biological_processpositive chemotaxis
A0051248biological_processnegative regulation of protein metabolic process
A0061078biological_processpositive regulation of prostaglandin secretion involved in immune response
A0061081biological_processpositive regulation of myeloid leukocyte cytokine production involved in immune response
A0070062cellular_componentextracellular exosome
A0070207biological_processprotein homotrimerization
A0070374biological_processpositive regulation of ERK1 and ERK2 cascade
A0090238biological_processpositive regulation of arachidonic acid secretion
A0090398biological_processcellular senescence
A1902166biological_processnegative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
A1904813cellular_componentficolin-1-rich granule lumen
A2000343biological_processpositive regulation of chemokine (C-X-C motif) ligand 2 production
A2000773biological_processnegative regulation of cellular senescence
B0001516biological_processprostaglandin biosynthetic process
B0001819biological_processpositive regulation of cytokine production
B0001934biological_processpositive regulation of protein phosphorylation
B0002020molecular_functionprotease binding
B0002906biological_processnegative regulation of mature B cell apoptotic process
B0004167molecular_functiondopachrome isomerase activity
B0005125molecular_functioncytokine activity
B0005126molecular_functioncytokine receptor binding
B0005515molecular_functionprotein binding
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005654cellular_componentnucleoplasm
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0005886cellular_componentplasma membrane
B0006954biological_processinflammatory response
B0007166biological_processcell surface receptor signaling pathway
B0008284biological_processpositive regulation of cell population proliferation
B0009986cellular_componentcell surface
B0010629biological_processnegative regulation of gene expression
B0010739biological_processpositive regulation of protein kinase A signaling
B0010760biological_processnegative regulation of macrophage chemotaxis
B0016853molecular_functionisomerase activity
B0019752biological_processcarboxylic acid metabolic process
B0030330biological_processDNA damage response, signal transduction by p53 class mediator
B0030336biological_processnegative regulation of cell migration
B0030890biological_processpositive regulation of B cell proliferation
B0031666biological_processpositive regulation of lipopolysaccharide-mediated signaling pathway
B0031982cellular_componentvesicle
B0032760biological_processpositive regulation of tumor necrosis factor production
B0033033biological_processnegative regulation of myeloid cell apoptotic process
B0033138biological_processpositive regulation of peptidyl-serine phosphorylation
B0034774cellular_componentsecretory granule lumen
B0042056molecular_functionchemoattractant activity
B0042127biological_processregulation of cell population proliferation
B0042327biological_processpositive regulation of phosphorylation
B0042802molecular_functionidentical protein binding
B0043030biological_processregulation of macrophage activation
B0043066biological_processnegative regulation of apoptotic process
B0043518biological_processnegative regulation of DNA damage response, signal transduction by p53 class mediator
B0045087biological_processinnate immune response
B0048146biological_processpositive regulation of fibroblast proliferation
B0050178molecular_functionphenylpyruvate tautomerase activity
B0050731biological_processpositive regulation of peptidyl-tyrosine phosphorylation
B0050918biological_processpositive chemotaxis
B0051248biological_processnegative regulation of protein metabolic process
B0061078biological_processpositive regulation of prostaglandin secretion involved in immune response
B0061081biological_processpositive regulation of myeloid leukocyte cytokine production involved in immune response
B0070062cellular_componentextracellular exosome
B0070207biological_processprotein homotrimerization
B0070374biological_processpositive regulation of ERK1 and ERK2 cascade
B0090238biological_processpositive regulation of arachidonic acid secretion
B0090398biological_processcellular senescence
B1902166biological_processnegative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
B1904813cellular_componentficolin-1-rich granule lumen
B2000343biological_processpositive regulation of chemokine (C-X-C motif) ligand 2 production
B2000773biological_processnegative regulation of cellular senescence
C0001516biological_processprostaglandin biosynthetic process
C0001819biological_processpositive regulation of cytokine production
C0001934biological_processpositive regulation of protein phosphorylation
C0002020molecular_functionprotease binding
C0002906biological_processnegative regulation of mature B cell apoptotic process
C0004167molecular_functiondopachrome isomerase activity
C0005125molecular_functioncytokine activity
C0005126molecular_functioncytokine receptor binding
C0005515molecular_functionprotein binding
C0005576cellular_componentextracellular region
C0005615cellular_componentextracellular space
C0005654cellular_componentnucleoplasm
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0005886cellular_componentplasma membrane
C0006954biological_processinflammatory response
C0007166biological_processcell surface receptor signaling pathway
C0008284biological_processpositive regulation of cell population proliferation
C0009986cellular_componentcell surface
C0010629biological_processnegative regulation of gene expression
C0010739biological_processpositive regulation of protein kinase A signaling
C0010760biological_processnegative regulation of macrophage chemotaxis
C0016853molecular_functionisomerase activity
C0019752biological_processcarboxylic acid metabolic process
C0030330biological_processDNA damage response, signal transduction by p53 class mediator
C0030336biological_processnegative regulation of cell migration
C0030890biological_processpositive regulation of B cell proliferation
C0031666biological_processpositive regulation of lipopolysaccharide-mediated signaling pathway
C0031982cellular_componentvesicle
C0032760biological_processpositive regulation of tumor necrosis factor production
C0033033biological_processnegative regulation of myeloid cell apoptotic process
C0033138biological_processpositive regulation of peptidyl-serine phosphorylation
C0034774cellular_componentsecretory granule lumen
C0042056molecular_functionchemoattractant activity
C0042127biological_processregulation of cell population proliferation
C0042327biological_processpositive regulation of phosphorylation
C0042802molecular_functionidentical protein binding
C0043030biological_processregulation of macrophage activation
C0043066biological_processnegative regulation of apoptotic process
C0043518biological_processnegative regulation of DNA damage response, signal transduction by p53 class mediator
C0045087biological_processinnate immune response
C0048146biological_processpositive regulation of fibroblast proliferation
C0050178molecular_functionphenylpyruvate tautomerase activity
C0050731biological_processpositive regulation of peptidyl-tyrosine phosphorylation
C0050918biological_processpositive chemotaxis
C0051248biological_processnegative regulation of protein metabolic process
C0061078biological_processpositive regulation of prostaglandin secretion involved in immune response
C0061081biological_processpositive regulation of myeloid leukocyte cytokine production involved in immune response
C0070062cellular_componentextracellular exosome
C0070207biological_processprotein homotrimerization
C0070374biological_processpositive regulation of ERK1 and ERK2 cascade
C0090238biological_processpositive regulation of arachidonic acid secretion
C0090398biological_processcellular senescence
C1902166biological_processnegative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
C1904813cellular_componentficolin-1-rich granule lumen
C2000343biological_processpositive regulation of chemokine (C-X-C motif) ligand 2 production
C2000773biological_processnegative regulation of cellular senescence
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE Y0X A 999
ChainResidue
ALYS32
ATHR112
APHE113
AHOH133
AHOH148
AHOH254
AIPA888
BSER52
BSER53
BGLU54
BPRO55
ATYR36
BARG88
BEDO115
CPRO91
AILE64
AGLY65
ALYS66
ATRP108
AASN109
AASN110
ASER111

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE IPA A 888
ChainResidue
ALYS32
ATYR36
AILE64
AGOL116
AY0X999

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 115
ChainResidue
AARG11
AVAL14
APRO15
APHE18
ALEU19
BALA114
CLEU46

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 116
ChainResidue
APRO1
AMET2
AHIS62
AILE64
AIPA888
CTYR95
CASN97

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 117
ChainResidue
AGLY68
AGLY69
AALA70
AGLN71

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 118
ChainResidue
AHOH233
BARG73
CSER111
CHOH157

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 120
ChainResidue
AGLY51
ASER53
AHOH224
BLEU19
CTHR112
CALA114
CHOH135
CHOH138
CHOH195

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 121
ChainResidue
ASER60
AASN97
ATYR99
AHOH138
BHIS62

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 555
ChainResidue
AARG86
BGLY65
BLYS66
BGLN71

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 115
ChainResidue
AY0X999
BSER53
BGLU54
BPRO55
BEDO119

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 116
ChainResidue
BGLY68
BGLY69
BALA70
BGLN71

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 117
ChainResidue
BSER60
BASN97
BTYR99
BHOH388
CHIS62

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 118
ChainResidue
AASN97
AHOH242
BPRO1
BMET2
BHIS62
BSER63
BILE64
BVAL106
BHOH385

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 119
ChainResidue
BVAL9
BSER13
BLEU87
BARG88
BEDO115

site_idBC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 120
ChainResidue
BLEU19
BHOH225
CALA114
CHOH135
CHOH195
BARG11
BVAL14
BPRO15
BPHE18

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE IPA B 121
ChainResidue
AGLY17
AGLU21
AGLN24
AHOH242
BLYS32

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IPA C 557
ChainResidue
BGLY17
BSER20
BGLN24
BHOH128
CLYS32
CHOH378

site_idBC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL C 558
ChainResidue
BTYR95
BASN97
BHOH128
CPRO1
CMET2
CHIS62
CSER63
CILE64
CVAL106

site_idCC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 C 115
ChainResidue
CGLY68
CGLY69
CALA70
CGLN71
CHOH145
CHOH311

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL C 116
ChainResidue
AHOH341
CPRO15
CGLY17
CPHE18
CLEU19
CSER20

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL C 117
ChainResidue
BARG86
CGLY65
CLYS66
CGLN71
CHOH150
CHOH311

site_idCC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IPA C 118
ChainResidue
AGLY50
BHOH146
BHOH163
CGLN35
CTYR36
CTRP108

Functional Information from PROSITE/UniProt
site_idPS01158
Number of Residues15
DetailsMIF Macrophage migration inhibitory factor family signature. EPCAlcsLhSIGkIG
ChainResidueDetails
AGLU54-GLY68

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Proton acceptor; via imino nitrogen => ECO:0000250|UniProtKB:P34884
ChainResidueDetails
APRO1
BPRO1
CPRO1

site_idSWS_FT_FI2
Number of Residues9
DetailsBINDING: BINDING => ECO:0000269|PubMed:11170644, ECO:0000269|PubMed:17526494, ECO:0000269|PubMed:19090677
ChainResidueDetails
ALYS32
AILE64
AASN97
BLYS32
BILE64
BASN97
CLYS32
CILE64
CASN97

site_idSWS_FT_FI3
Number of Residues3
DetailsMOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P34884
ChainResidueDetails
ALYS77
BLYS77
CLYS77

223532

PDB entries from 2024-08-07

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