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3QXT

Structure of an Anti-Methotrexate CDR1-3 Graft VHH Antibody in Complex with Methotrexate

Functional Information from PDB Data
site_idAC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE MTX A 2000
ChainResidue
AVAL4
AARG74
AASP75
AASN79
ATHR80
AVAL81
AALA100
AHOH1005
AHOH1064
AHOH1118
BARG58
ACYS24
AALA26
AARG28
AARG29
ASER30
ASER31
AARG32
ATRP34

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 132
ChainResidue
AARG74
AHOH1023
AHOH1026
AHOH1098
AHOH1106
AHOH1120

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 133
ChainResidue
AASP101
AASP102
AGLY112
AASP119
AHOH1018
AHOH1066

site_idAC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE MTX B 2000
ChainResidue
BVAL4
BCYS24
BALA26
BARG28
BARG29
BSER30
BSER31
BARG32
BTRP34
BMET36
BARG74
BASP75
BASN79
BTHR80
BVAL81
BALA100
BHOH1022

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA B 132
ChainResidue
BASP101
BASP102
BGLY112
BASP119
BNA133
BHOH1044
BHOH1087

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA B 133
ChainResidue
BSER111
BGLY112
BNA132
BHOH1017
BHOH1044
BHOH1055
BHOH1083

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 134
ChainResidue
BARG74
BHOH1018
BHOH1034
BHOH1048
BHOH1075

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PDB entries from 2024-05-29

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