4EJ1

Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005829cellular_componentcytosol
A0004146molecular_functiondihydrofolate reductase activity
A0051871molecular_functiondihydrofolic acid binding
A0005542molecular_functionfolic acid binding
A0051870molecular_functionmethotrexate binding
A0050661molecular_functionNADP binding
A0070401molecular_functionNADP+ binding
A0070402molecular_functionNADPH binding
A0046452biological_processdihydrofolate metabolic process
A0046655biological_processfolic acid metabolic process
A0006545biological_processglycine biosynthetic process
A0006730biological_processone-carbon metabolic process
A0046677biological_processresponse to antibiotic
A0042493biological_processresponse to drug
A0031427biological_processresponse to methotrexate
A0046654biological_processtetrahydrofolate biosynthetic process
B0005829cellular_componentcytosol
B0004146molecular_functiondihydrofolate reductase activity
B0051871molecular_functiondihydrofolic acid binding
B0005542molecular_functionfolic acid binding
B0051870molecular_functionmethotrexate binding
B0050661molecular_functionNADP binding
B0070401molecular_functionNADP+ binding
B0070402molecular_functionNADPH binding
B0046452biological_processdihydrofolate metabolic process
B0046655biological_processfolic acid metabolic process
B0006545biological_processglycine biosynthetic process
B0006730biological_processone-carbon metabolic process
B0046677biological_processresponse to antibiotic
B0042493biological_processresponse to drug
B0031427biological_processresponse to methotrexate
B0046654biological_processtetrahydrofolate biosynthetic process
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC119BINDING SITE FOR RESIDUE FOL A 201
ChainResidue
AILE5
AALA6
AALA7
AGLU17
AASP27
ALEU28
APHE31
ALYS32
AILE50
AARG52
AARG57
AILE94
ATYR100
ATHR113
AHOH302
AHOH349
AHOH350
AHOH391
AHOH410

AC28BINDING SITE FOR RESIDUE PO4 A 202
ChainResidue
AGLY43
AARG44
AHIS45
ATHR46
AGLY96
AHOH325
AHOH365
AHOH417

AC35BINDING SITE FOR RESIDUE PO4 A 203
ChainResidue
AARG44
ASER63
ASER64
AHOH371
AHOH417

AC45BINDING SITE FOR RESIDUE PO4 A 204
ChainResidue
AASP144
AALA145
AGLN146
CLYS76
CHOH315

AC516BINDING SITE FOR RESIDUE FOL B 201
ChainResidue
BILE5
BALA6
BALA7
BGLU17
BASP27
BPHE31
BLYS32
BLEU54
BARG57
BILE94
BTYR100
BTHR113
BHOH303
BHOH308
BHOH403
BHOH427

AC68BINDING SITE FOR RESIDUE PO4 B 202
ChainResidue
BGLY43
BARG44
BHIS45
BTHR46
BGLY96
BVAL99
BHOH361
BHOH429

AC75BINDING SITE FOR RESIDUE PO4 B 203
ChainResidue
BARG44
BSER63
BSER64
BARG98
DARG27

AC84BINDING SITE FOR RESIDUE PO4 B 204
ChainResidue
BASP144
BALA145
BGLN146
DLYS76

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
FOL_4ej1_A_20120FOLIC ACID binding site
ChainResidueligand
AILE5-ALA7FOL: FOLIC ACID
AGLU17FOL: FOLIC ACID
AASP27-LEU28FOL: FOLIC ACID
ATRP30-LYS32FOL: FOLIC ACID
ATHR35FOL: FOLIC ACID
ATHR46FOL: FOLIC ACID
ASER49-ILE50FOL: FOLIC ACID
AARG52FOL: FOLIC ACID
ALEU54-PRO55FOL: FOLIC ACID
AARG57FOL: FOLIC ACID
AILE94FOL: FOLIC ACID
ATYR100FOL: FOLIC ACID
ATHR113FOL: FOLIC ACID

FOL_4ej1_B_20120FOLIC ACID binding site
ChainResidueligand
BILE5-ALA7FOL: FOLIC ACID
BGLU17FOL: FOLIC ACID
BASP27-LEU28FOL: FOLIC ACID
BTRP30-LYS32FOL: FOLIC ACID
BTHR35FOL: FOLIC ACID
BTHR46FOL: FOLIC ACID
BSER49-ILE50FOL: FOLIC ACID
BARG52FOL: FOLIC ACID
BLEU54-PRO55FOL: FOLIC ACID
BARG57FOL: FOLIC ACID
BILE94FOL: FOLIC ACID
BTYR100FOL: FOLIC ACID
BTHR113FOL: FOLIC ACID

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11NADP; via carbonyl oxygen.
ChainResidueDetails
ALYS76

SWS_FT_FI21NADP; via amide nitrogen and carbonyl oxygen.
ChainResidueDetails
AALA7

SWS_FT_FI31Substrate; via carbonyl oxygen.
ChainResidueDetails
AILE5

SWS_FT_FI44Substrate.
ChainResidueDetails
AASP27
AARG52
AARG57
ATHR113

SWS_FT_FI519NADP.
ChainResidueDetails
AVAL13-ALA19
AHIS45-THR46
ASER63-SER64
AGLY95-GLN102

SWS_FT_FI61NADP; via carbonyl oxygen.
ChainResidueDetails
BLYS76

SWS_FT_FI71NADP; via amide nitrogen and carbonyl oxygen.
ChainResidueDetails
BALA7

SWS_FT_FI81Substrate; via carbonyl oxygen.
ChainResidueDetails
BILE5

SWS_FT_FI94Substrate.
ChainResidueDetails
BASP27
BARG52
BARG57
BTHR113

SWS_FT_FI1019NADP.
ChainResidueDetails
BVAL13-ALA19
BHIS45-THR46
BSER63-SER64
BGLY95-GLN102

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Catalytic Information from CSA

site_idNumber of ResiduesDetails