5VOC

Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21 - Low resolution dataset for initial phasing by SAD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Envelope glycoprotein H	polymer	725	82415.9	1	UniProt (Q6SW67) Pfam (PF02489) Pfam (PF17488) In PDB	Human cytomegalovirus (HHV-5)	gH
2	B	Envelope glycoprotein L	polymer	278	30846.5	1	UniProt (Q68674) Pfam (PF01801) In PDB	Human cytomegalovirus (strain 5508) (HHV-5)	gL
3	C	Envelope glycoprotein UL128	polymer	171	19777.0	1	UniProt (P16837) In PDB	Human cytomegalovirus (strain AD169) (HHV-5)
4	D	Envelope glycoprotein UL130	polymer	252	28664.6	1	UniProt (F5HCP3) Pfam (PF11668) In PDB	Human cytomegalovirus (strain Merlin) (HHV-5)
5	E	Envelope glycoprotein UL131A	polymer	129	15011.0	1	UniProt (F5HET4) In PDB	Human cytomegalovirus (strain Merlin) (HHV-5)
6	H	Fab 8I21 heavy chain	polymer	289	30873.6	1	UniProt (S6B291) Pfam (PF07686) Pfam (PF07654) In PDB	Homo sapiens (Human)
7	L	Fab 8I21 light chain	polymer	235	25714.7	1	UniProt (Q6GMX0) Pfam (PF07686) Pfam (PF07654) In PDB	Homo sapiens (Human)	Ig kappa chain V-III region CLL,Ig kappa chain V-III region POM
8	F	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
9	A, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)

Sequence modifications

A: 1 - 715 (UniProt: Q6SW67)

PDB	External Database	Details
Gly 716	-	expression tag
Ser 717	-	expression tag
Gly 718	-	expression tag
Ser 719	-	expression tag
His 720	-	expression tag
His 721	-	expression tag
His 722	-	expression tag
His 723	-	expression tag
His 724	-	expression tag
His 725	-	expression tag

D: 1 - 214 (UniProt: F5HCP3)

PDB	External Database	Details
Gly 215	-	expression tag
Ser 216	-	expression tag
Glu 217	-	expression tag
Asn 218	-	expression tag
Leu 219	-	expression tag
Tyr 220	-	expression tag
Phe 221	-	expression tag
Gln 222	-	expression tag
Ala 223	-	expression tag
Gly 224	-	expression tag
Trp 225	-	expression tag
Ser 226	-	expression tag
His 227	-	expression tag
Pro 228	-	expression tag
Gln 229	-	expression tag
Phe 230	-	expression tag
Glu 231	-	expression tag
Lys 232	-	expression tag
Gly 233	-	expression tag
Gly 234	-	expression tag
Gly 235	-	expression tag
Ser 236	-	expression tag
Gly 237	-	expression tag
Gly 238	-	expression tag
Gly 239	-	expression tag
Ser 240	-	expression tag
Gly 241	-	expression tag
Gly 242	-	expression tag
Gly 243	-	expression tag
Ser 244	-	expression tag
Trp 245	-	expression tag
Ser 246	-	expression tag
His 247	-	expression tag
Pro 248	-	expression tag
Gln 249	-	expression tag
Phe 250	-	expression tag
Glu 251	-	expression tag
Lys 252	-	expression tag

H: -18 - 111 (PDB: 5VOC)
H: 112 - 227 (UniProt: S6B291)

PDB	External Database	Details
Ser 228	-	expression tag
Ser 229	-	expression tag
Gly 230	-	expression tag
Leu 231	-	expression tag
Glu 232	-	expression tag
Val 233	-	expression tag
Leu 234	-	expression tag
Phe 235	-	expression tag
Gln 236	-	expression tag
Gly 237	-	expression tag
Pro 238	-	expression tag
Leu 239	-	expression tag
Gly 240	-	expression tag
Ser 241	-	expression tag
Ala 242	-	expression tag
Trp 243	-	expression tag
Ser 244	-	expression tag
His 245	-	expression tag
Pro 246	-	expression tag
Gln 247	-	expression tag
Phe 248	-	expression tag
Glu 249	-	expression tag
Lys 250	-	expression tag
Gly 251	-	expression tag
Gly 252	-	expression tag
Gly 253	-	expression tag
Ser 254	-	expression tag
Gly 255	-	expression tag
Gly 256	-	expression tag
Gly 257	-	expression tag
Ser 258	-	expression tag
Gly 259	-	expression tag
Gly 260	-	expression tag
Gly 261	-	expression tag
Ser 262	-	expression tag
Trp 263	-	expression tag
Ser 264	-	expression tag
His 265	-	expression tag
Pro 266	-	expression tag
Gln 267	-	expression tag
Phe 268	-	expression tag
Glu 269	-	expression tag
Lys 270	-	expression tag

L: -19 - 104 (PDB: 5VOC)

PDB	External Database	Details
Thr -17	-	conflict
Glu -14	-	conflict
Thr 2	-	conflict
Gly 17	-	conflict
Gly 30	-	conflict
Ile 31	-	conflict
Ser 56	-	conflict
Phe 58	-	conflict
Thr 76	-	conflict
Asp 93	-	conflict
Pro 96	-	linker
Trp 97	-	linker
Thr 98	-	linker
Phe 99	-	linker
Gly 100	-	linker
Gln 101	-	linker
Gly 102	-	linker
Thr 103	-	linker
Lys 104	-	linker

L: 105 - 215 (UniProt: Q6GMX0)

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	233303.3
Branched	Number of molecules	1
	Total formula weight	586.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1106.0
All*	Total formula weight	234995.9

*Water molecules are not included.