9XHH

Structure of the CCL19-CCR7-Gi-scFv16 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (L)	C-C motif chemokine 19	polymer	92	10189.8	1	UniProt (Q99731) Pfam (PF00048)	Homo sapiens (human)	Beta-chemokine exodus-3,CK beta-11,Epstein-Barr virus-induced molecule 1 ligand chemokine,EBI1 ligand chemokine,ELC,Macrophage inflammatory protein 3 beta,MIP-3-beta,Small-inducible cytokine A19
2	B (R)	C-C chemokine receptor type 7,Non structural polyprotein	polymer	551	61585.0	1	UniProt (P32248) UniProt (A0A482LYE4) Pfam (PF00001)	Homo sapiens (human)	C-C CKR-7,CC-CKR-7,CCR-7,BLR2,CDw197,Epstein-Barr virus-induced G-protein coupled receptor 1,EBI1,EBV-induced G-protein coupled receptor 1,MIP-3 beta receptor
3	C (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	371	40039.6	1	UniProt (P62873) Pfam (PF25391)	Homo sapiens (human)	Transducin beta chain 1
4	D, E (C, A)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	432	48640.4	2	UniProt (P59768) UniProt (P63097) Pfam (PF00631) Pfam (PF00503)	Homo sapiens (human)	G gamma-I,Adenylate cyclase-inhibiting G alpha protein
5	F (D)	Antibody fragment scFv16	polymer	256	27340.5	1		Mus musculus
6	G (R)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR) PubChem (5997)

Sequence modifications

L: 1 - 77 (UniProt: Q99731)

PDB	External Database	Details
Gly 78	-	expression tag
Ser 79	-	expression tag
Gly 80	-	expression tag
Ser 81	-	expression tag
Gly 82	-	expression tag
Ser 83	-	expression tag
Ala 84	-	expression tag
Ala 85	-	expression tag
Ala 86	-	expression tag
Leu 87	-	expression tag
Glu 88	-	expression tag
Val 89	-	expression tag
Leu 90	-	expression tag
Phe 91	-	expression tag
Gln 92	-	expression tag

R: 25 - 378 (UniProt: P32248)

PDB	External Database	Details
Asp 16	-	expression tag
Tyr 17	-	expression tag
Lys 18	-	expression tag
Asp 19	-	expression tag
Asp 20	-	expression tag
Asp 21	-	expression tag
Asp 22	-	expression tag
Gly 23	-	expression tag
Ser 24	-	expression tag
Ser 379	-	linker
Arg 380	-	linker
Gly 381	-	linker
Ser 382	-	linker
Ser 383	-	linker
Gly 384	-	linker
Gly 385	-	linker
Gly 386	-	linker
Gly 387	-	linker
Ser 388	-	linker
Gly 389	-	linker
Gly 390	-	linker
Gly 391	-	linker
Gly 392	-	linker
Ser 393	-	linker
Ser 394	-	linker
Gly 395	-	linker

R: 396 - 552 (UniProt: A0A482LYE4)

PDB	External Database	Details
Glu 407	Arg 83	conflict
Ala 411	Gly 87	conflict
Leu 427	Phe 103	conflict
Ala 431	Gly 107	conflict
Arg 442	Leu 118	conflict
Ala 447	Gly 123	conflict
Ala 463	Gly 139	conflict
Ala 467	Gly 143	conflict
Glu 471	Lys 147	conflict
Val 472	Ile 148	conflict
Pro 489	His 165	conflict
Leu 503	Ile 179	conflict
Asn 504	Asp 180	conflict
Thr 540	Asn 216	conflict
Met 545	Leu 221	conflict
Ser 553	-	expression tag
Gly 554	-	expression tag
Gly 555	-	expression tag
Gly 556	-	expression tag
Gly 557	-	expression tag
Ser 558	-	expression tag
His 559	-	expression tag
His 560	-	expression tag
His 561	-	expression tag
His 562	-	expression tag
His 563	-	expression tag
His 564	-	expression tag
His 565	-	expression tag
His 566	-	expression tag

B: 1 - 339 (UniProt: P62873)

PDB	External Database	Details
Gly -5	-	expression tag
Pro -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Gly 340	-	expression tag
Ser 341	-	expression tag
Ser 342	-	expression tag
Gly 343	-	expression tag
Gly 344	-	expression tag
Gly 345	-	expression tag
Gly 346	-	expression tag
Ser 347	-	expression tag
Gly 348	-	expression tag
Gly 349	-	expression tag
Gly 350	-	expression tag
Gly 351	-	expression tag
Ser 352	-	expression tag
Ser 353	-	expression tag
Gly 354	-	expression tag
Val 355	-	expression tag
Ser 356	-	expression tag
Gly 357	-	expression tag
Trp 358	-	expression tag
Arg 359	-	expression tag
Leu 360	-	expression tag
Phe 361	-	expression tag
Lys 362	-	expression tag
Lys 363	-	expression tag
Ile 364	-	expression tag
Ser 365	-	expression tag

C, A: 2 - 71 (UniProt: P59768)

PDB	External Database	Details
Gly 72	-	linker
Ser 73	-	linker
Ala 74	-	linker
Gly 75	-	linker
Ser 76	-	linker
Ala 77	-	linker
Gly 78	-	linker
Ser 79	-	linker
Ala 80	-	linker

C, A: 81 - 433 (UniProt: P63097)

PDB	External Database	Details
Asn 126	Ser 47	conflict
Ala 282	Gly 203	conflict
Ala 324	Glu 245	conflict
Ser 405	Ala 326	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	236435.6
Non-Polymers*	Number of molecules	1
	Total formula weight	386.7
All*	Total formula weight	236822.3

*Water molecules are not included.