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Entry information

Complex
AACDB_ID: 814
PDBID: 4LMQ
Chains: EI_F
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.77
Reference: 10.1158/1078-0432.CCR-13-0943
Antibody
Antibody: hu30D8 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Stromal cell-derived factor 1
Antigen mutation: No
Durg Target: P48061

Sequence information

Antibody

Heavy Chain: E
Mutation: NULL

>4LMQ_E|Chain B[auth E], D[auth H]|hu30D8 Fab heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFSLTVYSVHWVRQAPGKGLEWVGALWGSGGTEYNSNLKSRFTISRDTSKNTVYLQMNSLRAEDTAVYYCARDQGLNYGSLFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: I
Mutation: NULL

>4LMQ_I|Chain E[auth I], F[auth L]|hu30D8 Fab light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASESISYSLSWYQQKPGKAPKLLIYNAVKLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCKQYWNTPFTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: F
Mutation: NULL

>4LMQ_F|Chain A[auth D], C[auth F]|Stromal cell-derived factor 1|Homo sapiens (9606)
RCPCRFFESHVARANVKHLKILNTPNCALQIVARLKNNNRQVCIDPKLKWIQEYLEKALNK

Interaction

1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.

Interacting residues (ΔSASA based)

E: VAL31 SER33 TRP52 GLY53 SER54 GLU58 ASP95 GLY97 LEU98 ASN99

I: SER30 TYR31 SER32 ASN50 TYR91 TRP92 ASN93 THR94 PHE96

F: GLU15 SER16 HIS17 VAL18 ALA19 ARG20 ALA21 ASN22 LYS24 LEU42 LYS43 ASN44 ASN45 ASN46 ARG47 VAL49 LEU55 TRP57

2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.

Interacting residues (Atom distance based)

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