CRYSTAL STRUCTURE OF AN HIV-1 NEUTRALIZING ANTIBODY 50.1 IN COMPLEX WITH ITS V3 LOOP PEPTIDE ANTIGEN

RESIDUES 8, 77, 95, 141, 204 OF THE L AND M CHAINS, AND RESIDUES 149, 151, 200 OF THE H AND J CHAINS ARE CIS PROLINES.

Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen.

Crystallization, Sequence, and Preliminary Crystallographic Data for an Antipeptide Fab 50.1 And Peptide Complexes with the Principal Neutralizing Determinant of HIV-1 Gp120

Major Antigen-Induced Domain Rearrangements in an Antibody

DIVLTQSPGSLAVSLGQRATISCRASESVDDDGNSFLHWYQQKPGQPPKLLIYRSSNLISGIPDRFSGSGSRTDFTLTIN
PVEADDVATYYCQQSNEDPLTFGAGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQ
NGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

QVQLKESGPGILQPSQTLSLTCSFSGFSLSTYGMGVSWIRQPSGKGLEWLAHIFWDGDKRYNPSLKSRLKISKDTSNNQV
FLKITSVDTADTATYYCVQEGYIYWGQGTSVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGS
LSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTIKPC

THE FAB FRAGMENT IS NUMBERED BY THE CONVENTION OF E. KABAT
(E.A. KABAT, T.T. WU, M. REID-MILLER, H.M. PERRY, K.S.
GOTTESMAN, SEQUENCES OF PROTEINS OF IMMUNOLOGICAL INTEREST,
4TH ED., (1987), NATIONAL INSTITUTE OF HEALTH, BETHESDA,
MD.

THE PEPTIDE IS NUMBERED ACCORDING TO THE BH10 ISOLATE
SEQUENCE (L. RATNER, W. HASELTINE, R. PATARCA, K.J. LIVAK,
B. STARCICH, S.F. JOSEPHS, E.R. DORAN, J.A. RAFALSKI, E.A.
WHITEHORN, K. BAUMEISTER, L. IVANOFF, S.R. PETTEWAY JR., M.
L. PEARSON, J.A. LAUTENBERGER, T.S. PAPAS, J. GHRAYEB, N.T.
CHANG, R.C. GALLO, F. WONG-STAAL (1985) NATURE V. 313,
277-284.) (*CKRIHIGPG;311-316, 319-321) (*C IS AN
ACETAMIDOMETHYLATED CYSTEINE IN THE REAL PEPTIDE; HOWEVER
IN THE DEPOSITED MODEL THIS IS A CYS)

IGG2A FAB FRAGMENT (50.1) COMPLEX WITH 16-RESIDUE PEPTIDE (RESIDUES 311-328 OF HIV-1 GP120 (MN ISOLATE))

THERE ARE TWO FAB MOLECULES IN THE ASYMMETRIC UNIT. THE TRANSFORMATIONS GIVEN ON *MTRIX* RECORDS BELOW YIELD APPROXIMATE COORDINATES FOR CHAINS *L* AND *H* WHEN APPLIED TO CHAINS *M* AND *J*. THESE TRANSFORMATIONS HAVE BEEN PROVIDED SEPARATELY FOR THE VH AND CH DOMAINS OF THE HEAVY CHAIN AND THE VL AND CL DOMAINS OF THE LIGHT CHAIN. THE TRANSFORMATION PRESENTED ON *MTRIX 1* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR THE VL DOMAIN OF CHAIN *L* WHEN APPLIED TO THE VL DOMAIN OF CHAIN *M*. THE TRANSFORMATION PRESENTED ON *MTRIX 2* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR THE CL DOMAIN OF CHAIN *L* WHEN APPLIED TO THE CL DOMAIN OF CHAIN *M*. THE TRANSFORMATION PRESENTED ON *MTRIX 3* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR THE VH DOMAIN OF CHAIN *H* WHEN APPLIED TO THE VH DOMAIN OF CHAIN *J*. THE TRANSFORMATION PRESENTED ON *MTRIX 4* RECORDS BELOW WILL YIELD APPROXIMATE COORDINATES FOR THE CH DOMAIN OF CHAIN *H* WHEN APPLIED TO THE CH DOMAIN OF CHAIN *J*.

ELVMTQTPASLAVSLGQRATISCRASENVDRYGNSFMHWYQQKAGQPPKLLIYRASNLESGIPARFSGSGSRTDFTLTIN
PVEADDVATYFCQRSNEVPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQ
NGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

AKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSI
TCNVAHPASSTKVDKKIEPRGPTIKPCPPCKCPAPNLLGGPSVFIFPPKIKDVLMISLSPIVTCVVVDVSEDDPDVQISW
FVNNVEVHTAQTQTHREDYNSTLRVVSALPIQHQDWMSGKEFKCKVNNKDLPAPIERTISKPKGSVRAPQVYVLPPPEEE
MTKKQVTLTCMVTDFMPEDIYVEWTNNGKTELNYKNTEPVLDSDGSYFMYSKLRVEKKNWVERNSYSCSVVHEGLHNHHT
TKSFSRTPGK