9UPU
Cryo-EM strucutre of CXCR4 complexed with agonist SDV1a
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | polymer | 384 | 42005.9 | 1 | UniProt (P62873) Pfam (PF25391) | Homo sapiens (human) | Transducin beta chain 1 |
| 2 | B (C) | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | polymer | 71 | 7861.1 | 1 | UniProt (P59768) Pfam (PF00631) | Homo sapiens (human) | G gamma-I |
| 3 | C (A) | Guanine nucleotide-binding protein G(i) subunit alpha-1 | polymer | 354 | 40445.1 | 1 | UniProt (P63096) Pfam (PF00503) | Homo sapiens (human) | Adenylate cyclase-inhibiting G alpha protein |
| 4 | D (S) | single-chain variable fragment scFv16 | polymer | 259 | 27784.9 | 1 | Homo sapiens | ||
| 5 | E (J) | Stromal cell-derived factor 1 | polymer | 8 | 951.1 | 1 | UniProt (P48061) | Homo sapiens | SDF-1,hSDF-1,C-X-C motif chemokine 12,Intercrine reduced in hepatomas,IRH,hIRH,Pre-B cell growth-stimulating factor,PBSF |
| 6 | F (R) | Soluble cytochrome b562,C-X-C chemokine receptor type 4,Oplophorus-luciferin 2-monooxygenase catalytic subunit | polymer | 648 | 72689.6 | 1 | UniProt (P0ABE7) UniProt (P61073) UniProt (Q9GV45) Pfam (PF12109) Pfam (PF00001) | Escherichia coli | Cytochrome b-562,CXC-R4,CXCR-4,FB22,Fusin,HM89,LCR1,Leukocyte-derived seven transmembrane domain receptor,LESTR,Lipopolysaccharide-associated protein 3,LAP-3,LPS-associated protein 3,NPYRL,Stromal cell-derived factor 1 receptor,SDF-1 receptor,19kOLase |
| 7 | G (R) | CHOLESTEROL | non-polymer | 386.7 | 1 | Chemie (CLR) PubChem (5997) |
Sequence modifications
B: 2 - 340 (UniProt: P62873)
A: 1 - 354 (UniProt: P63096)
R: -111 - -7 (UniProt: P0ABE7)
R: 1 - 337 (UniProt: P61073)
R: 358 - 509 (UniProt: Q9GV45)
| PDB | External Database | Details |
|---|---|---|
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| His -18 | - | expression tag |
| His -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| Leu -10 | - | expression tag |
| Glu -9 | - | expression tag |
| Val -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Phe -6 | - | expression tag |
| Gln -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Gly 341 | - | expression tag |
| Ala 342 | - | expression tag |
| Ser 343 | - | expression tag |
| Gly 344 | - | expression tag |
| Ala 345 | - | expression tag |
| Ser 346 | - | expression tag |
| Gly 347 | - | expression tag |
| Ala 348 | - | expression tag |
| Ser 349 | - | expression tag |
| Gly 350 | - | expression tag |
| Ala 351 | - | expression tag |
| Ser 352 | - | expression tag |
| Val 353 | - | expression tag |
| Ser 354 | - | expression tag |
| Gly 355 | - | expression tag |
| Trp 356 | - | expression tag |
| Arg 357 | - | expression tag |
| Leu 358 | - | expression tag |
| Phe 359 | - | expression tag |
| Lys 360 | - | expression tag |
| Lys 361 | - | expression tag |
| Ile 362 | - | expression tag |
| Ser 363 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ala 203 | Gly 203 | engineered mutation |
| Ser 326 | Ala 326 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Met -137 | - | initiating methionine |
| Lys -136 | - | expression tag |
| Thr -135 | - | expression tag |
| Ile -134 | - | expression tag |
| Ile -133 | - | expression tag |
| Ala -132 | - | expression tag |
| Leu -131 | - | expression tag |
| Ser -130 | - | expression tag |
| Tyr -129 | - | expression tag |
| Ile -128 | - | expression tag |
| Phe -127 | - | expression tag |
| Cys -126 | - | expression tag |
| Leu -125 | - | expression tag |
| Val -124 | - | expression tag |
| Phe -123 | - | expression tag |
| Ala -122 | - | expression tag |
| Asp -121 | - | expression tag |
| Tyr -120 | - | expression tag |
| Lys -119 | - | expression tag |
| Asp -118 | - | expression tag |
| Asp -117 | - | expression tag |
| Asp -116 | - | expression tag |
| Asp -115 | - | expression tag |
| Lys -114 | - | expression tag |
| Gly -113 | - | expression tag |
| Ser -112 | - | expression tag |
| Trp -105 | Met 29 | engineered mutation |
| Ile -10 | His 124 | engineered mutation |
| Leu -6 | - | linker |
| Leu -5 | - | linker |
| Val -4 | - | linker |
| Pro -3 | - | linker |
| Arg -2 | - | linker |
| Gly -1 | - | linker |
| Ser 0 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ser 119 | Asn 119 | conflict |
| Ser 338 | - | linker |
| Ser 339 | - | linker |
| Val 340 | - | linker |
| Ser 341 | - | linker |
| Thr 342 | - | linker |
| Glu 343 | - | linker |
| Ser 344 | - | linker |
| Glu 345 | - | linker |
| Ser 346 | - | linker |
| Ser 347 | - | linker |
| Ser 348 | - | linker |
| Phe 349 | - | linker |
| His 350 | - | linker |
| Ser 351 | - | linker |
| Ser 352 | - | linker |
| Val 353 | - | linker |
| Phe 354 | - | linker |
| Thr 355 | - | linker |
| Leu 356 | - | linker |
| Glu 357 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Glu 364 | Gln 38 | engineered mutation |
| Ala 368 | Gly 42 | engineered mutation |
| Leu 371 | Gln 45 | engineered mutation |
| Val 380 | Leu 54 | engineered mutation |
| Leu 384 | Phe 58 | engineered mutation |
| Asn 386 | Ala 60 | engineered mutation |
| Ala 388 | Gly 62 | engineered mutation |
| Arg 396 | Lys 70 | engineered mutation |
| Ile 397 | Val 71 | engineered mutation |
| Arg 399 | Leu 73 | engineered mutation |
| Ala 404 | Gly 78 | engineered mutation |
| Ile 407 | Ala 81 | engineered mutation |
| Ala 420 | Gly 94 | engineered mutation |
| Asp 421 | Phe 95 | engineered mutation |
| Ala 424 | Gly 98 | engineered mutation |
| Gln 425 | Leu 99 | engineered mutation |
| Glu 428 | Met 102 | engineered mutation |
| Val 429 | Ile 103 | engineered mutation |
| Val 443 | Ile 117 | engineered mutation |
| Pro 446 | His 120 | engineered mutation |
| Leu 460 | Ile 134 | engineered mutation |
| Asn 461 | Asp 135 | engineered mutation |
| Glu 468 | Pro 142 | engineered mutation |
| Lys 477 | Gln 151 | engineered mutation |
| Ile 491 | Tyr 165 | engineered mutation |
| Thr 497 | Asn 171 | engineered mutation |
| Met 502 | Leu 176 | engineered mutation |
| Ser 510 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 191737.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 386.7 | |
| All* | Total formula weight | 192124.4 |






