5ESV

Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, H (A, C, H)	CH03 Heavy Chain	polymer	244	26301.5	3	UniProt (S6BGE0) Pfam (PF07686) Pfam (PF07654)	Homo sapiens
2	B, D, I (B, D, L)	CH03 Light Chain	polymer	215	23552.2	3	UniProt (P01834) Pfam (PF07654)	Homo sapiens
3	E, F, G (E, F, G)	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160	polymer	211	23142.4	3	UniProt (P44815) UniProt (W6ICC0) Pfam (PF02542)	Haemophilus influenzae	MECPS,Endogenous retrovirus group K member 113 Env polyprotein,Endogenous retrovirus group K member 13-1 Env polyprotein,Endogenous retrovirus group K member 18 Env polyprotein,Endogenous retrovirus group K member 19 Env polyprotein,Endogenous retrovirus group K member 21 Env polyprotein,Endogenous retrovirus group K member 24 Env polyprotein,Endogenous retrovirus group K member 25 Env polyprotein,Endogenous retrovirus group K member 6 Env polyprotein,Endogenous retrovirus group K member 7 Env polyprotein,Endogenous retrovirus group K member 8 Env polyprotein,Endogenous retrovirus group K member 9 Env polyprotein,Envelope glycoprotein gp160,MECPS
4	J (I)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	K (J)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
6	L, M, P, Q, T (K, M, P, Q, T)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	5	In PDB GlyTouCan (G55220VL)
7	N, O (N, O)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
8	R, S (R, S)	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	2	In PDB GlyTouCan (G09724ZC)
9	U, V, X (E, F, G)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
10	W (G)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
11	Y, Z (A, H)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, C, H: 1 - 102 (PDB: 5ESV)
A, C, H: 103 - 218 (UniProt: S6BGE0)

PDB	External Database	Details
Gly 219	-	expression tag
Leu 220	-	expression tag
Glu 221	-	expression tag
Val 222	-	expression tag
Leu 223	-	expression tag
Phe 224	-	expression tag

B, D, L: 1 - 108 (PDB: 5ESV)
B, D, L: 109 - 214 (UniProt: P01834)
E, F, G: 113 - 124 (UniProt: P44815)

PDB	External Database	Details
Ser 111	-	expression tag
Leu 112	-	expression tag

E, F, G: 126 - 197 (UniProt: W6ICC0)

PDB	External Database	Details
Gly 198	-	linker
Gly 199	-	linker
Ser 200	-	linker
Gly 201	-	linker

E, F, G: 202 - 322 (UniProt: P44815)

PDB	External Database	Details
Gly 125	-	linker
-	Asp 64	deletion
-	Thr 65	deletion
-	Asp 66	deletion
-	Met 67	deletion
-	Gln 68	deletion
-	Tyr 69	deletion
Gly 323	-	expression tag
Leu 324	-	expression tag
Glu 325	-	expression tag
Val 326	-	expression tag
Leu 327	-	expression tag
Phe 328	-	expression tag
Gln 329	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	218988.3
Branched	Number of molecules	11
	Total formula weight	10829.8
Non-Polymers*	Number of molecules	4
	Total formula weight	417.4
All*	Total formula weight	230235.5

*Water molecules are not included.