1D6V

CONFORMATION EFFECTS IN BIOLOGICAL CATALYSIS INTRODUCED BY OXY-COPE ANTIBODY MATURATION

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	L	CHIMERIC GERMLINE PRECURSOR OF OXY-COPE CATALYTIC ANTIBODY AZ-28 (LIGHT CHAIN)	polymer	211	23506.2	1	UniProt (Q7TS98) UniProt (P01834) Pfam (PF07654) In PDB	Mus musculus (Mouse)
2	H	CHIMERIC GERMLINE PRECURSOR OF OXY-COPE CATALYTIC ANTIBODY AZ-28 (HEAVY CHAIN)	polymer	221	23618.2	1	UniProt (K7T9I5) UniProt (P0DOX5) Pfam (PF07654) UniProt (by SIFTS) (P01857) In PDB	Mus musculus (Mouse)
3	L	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
4	H	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL	non-polymer		381.5	1	Chemie (HOP)
5		water	water		18.0	138	Chemie (HOH)

Sequence modifications

L: 1 - 107 (UniProt: Q7TS98)

PDB	External Database	Details
Tyr 96	Arg 118	conflict
Ser 100	Gly 122	conflict

L: 108 - 211 (UniProt: P01834)
H: 9 - 113 (UniProt: K7T9I5)

PDB	External Database	Details
Gln 1	-	expression tag
Val 2	-	expression tag
Gln 3	-	expression tag
Leu 4	-	expression tag
Gln 5	-	expression tag
Gln 6	-	expression tag
Ser 7	-	expression tag
Gly 8	-	expression tag
Gly 95	Glu 91	conflict
His 96	Val 92	conflict
Ser 97	Arg 93	conflict
Tyr 98	Arg 94	conflict
Tyr 99	Arg 95	conflict
Phe 100	Tyr 96	conflict
Asp 100	Ala 98	conflict
Gly 100	Met 99	conflict

H: 114 - 214 (UniProt: P0DOX5)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47124.4
Non-Polymers*	Number of molecules	5
	Total formula weight	831.1
All*	Total formula weight	47955.5

*Water molecules are not included.