4DN4: Complex between cnto888 fab and mcp-1 mutant p8a

Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a. Determined by X-ray diffraction at 2.8 Å resolution. Released 3 Oct 2012.

Method: X-ray diffraction
Resolution: 2.8 Å
Organisms: Homo sapiens, HOMO SAPIENS
Chains: 3
Atoms: 3,811
Mol. weight: 56.74 kDa
Released: 3 Oct 2012

Explore 4DN4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4DN4 contains 19 α-helices and 45 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain H: 8 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	4-6	3	6
α-helix	7-9	3
β-strand	10-12	3	7
β-strand	18-24	7	6
β-strand	33-39	7	7
β-strand	46-51	6	7
α-helix	53-55	3
β-strand	58-60	3	7
β-strand	68-73	6	6
β-strand	78-83	6	6
α-helix	88-90	3
β-strand	92-99	8	7
β-strand	108-109	2	7
β-strand	113-117	5	7
β-strand	123	1	8
α-helix	124-125	2
β-strand	126-130	5	9
β-strand	141-151	11	9
β-strand	152	1	8
β-strand	157-160	4	10
α-helix	161-163	3
β-strand	165	1	10
β-strand	169-171	3	9
α-helix	172-174	3
β-strand	175-176	2	9
β-strand	182-191	10	9
α-helix	192-194	3
β-strand	201-206	6	10
α-helix	207-209	3
β-strand	211-216	6	10

Chain L: 8 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	1
β-strand	10-13	4	2
α-helix	18	1
β-strand	19-29	11	1
β-strand	34-39	6	2
β-strand	46-50	5	2
β-strand	54-55	2	2
β-strand	63-76	14	1
α-helix	81-83	3
β-strand	85-91	7	2
β-strand	99-100	2	2
β-strand	104-108	5	2
β-strand	113	1	3
α-helix	114-115	2
β-strand	116-120	5	4
α-helix	121-123	3
α-helix	124-127	4
β-strand	131-141	11	4
β-strand	142	1	3
β-strand	147-152	6	5
β-strand	155-156	2	5
α-helix	157	1
β-strand	161-165	5	4
α-helix	166-169	4
β-strand	175-184	10	4
α-helix	185-188	4
β-strand	193-199	7	5
β-strand	207-212	6	5

Chain M: 3 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	19-21	3
α-helix	22-24	3
β-strand	25-31	7	11
β-strand	40-45	6	11
β-strand	50-53	4	11
α-helix	58-68	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
CNTO888 light chain	L	protein	216	Homo sapiens
CNTO888 heavy chain	H	protein	228	Homo sapiens
C-C motif chemokine 2	M	protein	76	HOMO SAPIENS	P13500 (AlphaFold model)

Sequence of entity 1 (L), FASTA

>4DN4_1 CNTO888 LIGHT CHAIN (chains L)
EIVLTQSPATLSLSPGERATLSCRASQSVSDAYLAWYQQKPGQAPRLLIYDASSRATGVP
ARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYIQLHSFTFGQGTKVEIKRTVAAPSVFIF
PPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSST
LTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Sequence of entity 2 (H), FASTA

>4DN4_2 CNTO888 HEAVY CHAIN (chains H)
QVELVQSGAEVKKPGSSVKVSCKASGGTFSSYGISWVRQAPGQGLEWMGGIIPIFGTANY
AQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDGIYGELDFWGQGTLVTVSSA
STKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSG
LYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCHHHHHH

Sequence of entity 3 (M), FASTA

>4DN4_3 C-C motif chemokine 2 (chains M)
QPDAINAAVTCCYNFTNRKISVQRLASYRRITSSKCPKEAVIFKTIVAKEICADPKQKWV
QDSMDHLDKQTQTPKT

Primary citation

Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888. Obmolova, G., Teplyakov, A., Malia, T.J. et al. Mol Immunol (2012) 51:227-233. DOI 10.1016/j.molimm.2012.03.022 · PubMed

Other PDB entries of the same protein (UniProt P13500 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7SO0 1.74 Å, Crystal Structure of the Engineered Tick Evasin EVA-P974(F31A) Complexed to Human…
1DOK 1.85 Å, Monocyte chemoattractant protein 1, P-form
3IFD 1.9 Å, Human synthetic monocyte chemoattractant protein 1 (MCP-1)
4R8I 2.05 Å, High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with…
1DOL 2.4 Å, Monocyte chemoattractant protein 1, I-form
2NZ1 2.5 Å, Viral Chemokine Binding Protein M3 From Murine Gammaherpesvirus68 In Complex With The…
2BDN 2.53 Å, Crystal structure of human MCP-1 bound to a blocking antibody, 11K2
4ZK9 2.6 Å, The chemokine binding protein of orf virus complexed with CCL2
1ML0 2.8 Å, Viral chemokine binding protein M3 from murine GAMMAHERPESVIRUS68 in complex with the…
7XA3 2.9 Å, Cryo-EM structure of the CCL2 bound CCR2-Gi complex
8FJ0 2.91 Å, Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2
1DOM Solution structure of the monocyte chemoattractant protein-1 dimer using heteronuclear,…

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