4JM2: CRYSTAL STRUCTURE OF PGT 135 FAB IN COMPLEX WITH GP120 CORE PROTEIN FROM HIV-1 STRAIN JR-FL BOUND TO CD4 AND 17B FAB


A: PGT 135 HEAVY CHAIN
B: PGT 135 LIGHT CHAIN
C: 17B LIGHT CHAIN
D: 17B HEAVY CHAIN
E: GP120
F: T-CELL SURFACE GLYCOPROTEIN CD4





Epitopes

Chain E: P124 L125 C126 T202 Q203 A204 A281 S365 G366 G367 D368 I371 Q389 T415 L416 P417 K421 Q422 I423 I424 N425 M426 W427 Q428 E429 V430 A436 P437 D457 G458 G459 I460 G472 G473 D474 M475


Paratopes

Chain A: V100 F100A M100B W34 G35

Chain C: W94 P95

Chain D: G100C E100D Y100E D100F N100G

Chain F: H27 N32 Q33 I34 K35 Q40 G41 S42 F43 L44 T45 K46 G47 P48 R59 S60 L61


Contact Points


Contacting ChainContacting ResidueContacting PositionContacted ChainContacted ResidueContacted Position
AVAL100EGLN389
APHE100^AEPRO417
APHE100^AETHR415
APHE100^AELEU416
AMET100^BETHR415
ATRP34EPRO417
AGLY35EPRO417
CTRP94EGLN203
CTRP94EALA204
CPRO95EGLN203
CPRO95EALA204
CPRO95ETHR202
DGLY100^CEGLN422
DGLY100^CEILE423
DGLY100^CELYS421
DGLY100^CEILE424
DGLU100^DEILE423
DGLU100^DEGLN422
DGLU100^DELYS421
DTYR100^EEILE423
DTYR100^EEGLN422
DTYR100^EELYS421
DTYR100^EEPRO437
DASP100^FEALA436
DASP100^FEPRO437
DASN100^GEALA436
DASN100^GEPRO437
EPRO124FSER60
ELEU125FSER60
ECYS126FSER60
ECYS126FLEU61
ETHR202CPRO95
EGLN203CTRP94
EGLN203CPRO95
EALA204CTRP94
EALA204CPRO95
EALA281FLYS35
EALA281FHIS27
ESER365FPRO48
ESER365FGLY47
ESER365FLYS46
EGLY366FLYS46
EGLY366FGLY47
EGLY366FTHR45
EGLY367FTHR45
EGLY367FLYS46
EGLY367FLEU44
EASP368FPHE43
EASP368FTHR45
EASP368FLEU44
EILE371FPHE43
EGLN389AVAL100
ETHR415APHE100A
ETHR415AMET100B
ELEU416APHE100A
EPRO417APHE100A
EPRO417ATRP34
EPRO417AGLY35
ELYS421DGLY100C
ELYS421DTYR100E
ELYS421DGLU100D
EGLN422DGLY100C
EGLN422DGLU100D
EGLN422DTYR100E
EILE423DGLU100D
EILE423DTYR100E
EILE423DGLY100C
EILE424DGLY100C
EASN425FPHE43
EMET426FSER42
ETRP427FGLY41
ETRP427FSER42
ETRP427FPHE43
EGLN428FSER42
EGLU429FSER42
EVAL430FPHE43
EVAL430FSER42
EVAL430FARG59
EVAL430FSER60
EALA436DASN100G
EALA436DASP100F
EPRO437DTYR100E
EPRO437DASN100G
EPRO437DASP100F
EASP457FILE34
EASP457FPRO48
EASP457FLYS35
EGLY458FILE34
EGLY458FGLN33
EGLY459FILE34
EGLY459FASN32
EGLY459FGLN33
EILE460FASN32
EILE460FGLN33
EGLY472FGLN40
EGLY473FGLY41
EGLY473FPHE43
EGLY473FGLN40
EGLY473FSER42
EASP474FSER42
EASP474FGLN40
EASP474FGLY41
EMET475FGLY41
FHIS27EALA281
FASN32EGLY459
FASN32EILE460
FGLN33EGLY459
FGLN33EILE460
FGLN33EGLY458
FILE34EASP457
FILE34EGLY458
FILE34EGLY459
FLYS35EALA281
FLYS35EASP457
FGLN40EASP474
FGLN40EGLY473
FGLN40EGLY472
FGLY41EASP474
FGLY41ETRP427
FGLY41EMET475
FGLY41EGLY473
FSER42EVAL430
FSER42EASP474
FSER42EGLU429
FSER42ETRP427
FSER42EGLN428
FSER42EGLY473
FSER42EMET426
FPHE43ETRP427
FPHE43EASN425
FPHE43EVAL430
FPHE43EASP368
FPHE43EGLY473
FPHE43EILE371
FLEU44EGLY367
FLEU44EASP368
FTHR45EGLY366
FTHR45EASP368
FTHR45EGLY367
FLYS46EGLY367
FLYS46EGLY366
FLYS46ESER365
FGLY47EGLY366
FGLY47ESER365
FPRO48ESER365
FPRO48EASP457
FARG59EVAL430
FSER60ELEU125
FSER60ECYS126
FSER60EPRO124
FSER60EVAL430
FLEU61ECYS126