5ESZ

Crystal Structure of Broadly Neutralizing Antibody CH04, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade AE Strain A244

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (H, A)	CH04 Heavy Chain	polymer	244	26205.2	2	UniProt (A0A087WYE1)	Homo sapiens
2	B, F (L, B)	CH04 Light Chain	polymer	215	23754.4	2	UniProt (P01834) Pfam (PF07654)	Homo sapiens
3	C, D (C, G)	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160	polymer	222	24333.8	2	UniProt (P44815) UniProt (Q4QX31) 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,Envelope glycoprotein gp160,MECPS
4	G (D)	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)
5	H, J (E, I)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
6	I (F)	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		1073.0	1	In PDB GlyTouCan (G34442SS)
7	K (J)	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	1	In PDB GlyTouCan (G55220VL)
8	L (K)	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		748.7	1	In PDB GlyTouCan (G81315DD)

Sequence modifications

H, A: 1 - 105 (PDB: 5ESZ)
H, A: 106 - 218 (UniProt: A0A087WYE1)

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

L, B: 1 - 108 (PDB: 5ESZ)
L, B: 109 - 214 (UniProt: P01834)
C, G: 112 - 125 (UniProt: P44815)

PDB	External Database	Details
Ser 111	-	expression tag
Leu 112	Met 1	conflict

C, G: 126 - 197 (UniProt: Q4QX31)

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

C, G: 202 - 316 (UniProt: P44815)

PDB	External Database	Details
-	Asp 64	deletion
-	Thr 65	deletion
-	Asp 66	deletion
-	Met 67	deletion
-	Gln 68	deletion
-	Tyr 69	deletion
Gly 317	-	expression tag
Leu 318	-	expression tag
Glu 319	-	expression tag
Val 320	-	expression tag
Leu 321	-	expression tag
Phe 322	-	expression tag
Gln 323	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	148586.7
Branched	Number of molecules	6
	Total formula weight	4816.4
All*	Total formula weight	153403.1

*Water molecules are not included.