3RU8: STRUCTURE OF AN HIV EPITOPE SCAFFOLD IN COMPLEX WITH NEUTRALIZING ANTIBODY B12 FAB


H: ANTIBODY B12, HEAVY CHAIN
L: ANTIBODY B12, LIGHT CHAIN
X: EPITOPE SCAFFOLD 2BODX43





Epitopes

Chain X: S111 G112 G113 D114 P115 I117 V118 Q155 A159 G216 N217 C220 D253 G254 C255 A259 T76 G77 D78 M79


Paratopes

Chain H: Q1 W100 P100D Q100E N100G G26 R28 S30 N31 F32 V33 P52A Y53 N54 T73 V95 G96 P97 Y98

Chain L: S57 G58 I59 S60


Contact Points


Contacting ChainContacting ResidueContacting PositionContacted ChainContacted ResidueContacted Position
HGLN1XCYS220
HGLN1XCYS255
HGLN1XGLY254
HGLN1XASP253
HTRP100XGLN155
HTRP100XALA159
HPRO100^DXPRO115
HPRO100^DXASP114
HGLN100^EXASP114
HASN100^GXGLY113
HGLY26XALA259
HGLY26XGLY254
HARG28XTHR76
HSER30XASP78
HSER30XGLY77
HSER30XTHR76
HASN31XGLY113
HASN31XSER111
HASN31XGLY112
HASN31XILE117
HPHE32XGLY112
HPHE32XASP114
HPHE32XGLY113
HVAL33XGLY113
HPRO52^AXASP78
HTYR53XMET79
HTYR53XGLY77
HTYR53XASP78
HASN54XMET79
HASN54XASP78
HTHR73XASP78
HTHR73XGLY77
HVAL95XGLY113
HGLY96XGLY113
HPRO97XSER111
HPRO97XGLY113
HPRO97XGLY112
HTYR98XSER111
HTYR98XVAL118
HTYR98XASP114
HTYR98XPRO115
HTYR98XGLY113
HTYR98XGLY112
LSER57XASN217
LGLY58XASN217
LILE59XASN217
LSER60XGLY216
XSER111HPRO97
XSER111HASN31
XSER111HTYR98
XGLY112HPRO97
XGLY112HTYR98
XGLY112HASN31
XGLY112HPHE32
XGLY113HVAL95
XGLY113HTYR98
XGLY113HVAL33
XGLY113HGLY96
XGLY113HPHE32
XGLY113HASN31
XGLY113HPRO97
XGLY113HASN100G
XASP114HPRO100D
XASP114HPHE32
XASP114HTYR98
XASP114HGLN100E
XPRO115HTYR98
XPRO115HPRO100D
XILE117HASN31
XVAL118HTYR98
XGLN155HTRP100
XALA159HTRP100
XGLY216LSER60
XASN217LSER57
XASN217LILE59
XASN217LGLY58
XCYS220HGLN1
XASP253HGLN1
XGLY254HGLN1
XGLY254HGLY26
XCYS255HGLN1
XALA259HGLY26
XTHR76HSER30
XTHR76HARG28
XGLY77HTYR53
XGLY77HSER30
XGLY77HTHR73
XASP78HPRO52A
XASP78HASN54
XASP78HTHR73
XASP78HSER30
XASP78HTYR53
XMET79HASN54
XMET79HTYR53