3HXJ

Crystal Structure of Pyrrolo-quinoline quinone (PQQ_DH) from Methanococcus maripaludis, Northeast Structural Genomics Consortium Target MrR86

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Pyrrolo-quinoline quinone	polymer	330	37285.1	4	UniProt (A6VIT4) Pfam (PF13570) Pfam (PF13360) In PDB	Methanococcus maripaludis
2	B, C, D	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
3		water	water		18.0	669	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 322 (UniProt: A6VIT4)

PDB	External Database	Details
Ala 28	Ser 28	SEE REMARK 999
Ile 33	Val 33	SEE REMARK 999
Leu 35	Val 35	SEE REMARK 999
Ser 38	Gly 38	SEE REMARK 999
Asn 39	Asp 39	SEE REMARK 999
Thr 47	Pro 47	SEE REMARK 999
Phe 54	Ser 54	SEE REMARK 999
Gly 58	Asp 58	SEE REMARK 999
Arg 64	Lys 64	SEE REMARK 999
Arg 92	Lys 92	SEE REMARK 999
Asp 94	Gly 94	SEE REMARK 999
Val 100	Ala 100	SEE REMARK 999
Ile 109	Val 109	SEE REMARK 999
Mse 115	Leu 115	SEE REMARK 999
His 118	Tyr 118	SEE REMARK 999
Thr 124	Pro 124	SEE REMARK 999
Lys 135	Asn 135	SEE REMARK 999
Lys 136	Arg 136	SEE REMARK 999
Ala 177	Thr 177	SEE REMARK 999
Ala 182	Val 182	SEE REMARK 999
Asn 209	Lys 209	SEE REMARK 999
Thr 216	Ile 216	SEE REMARK 999
His 236	Tyr 236	SEE REMARK 999
Gly 253	Asp 253	SEE REMARK 999
Asp 266	Gly 266	SEE REMARK 999
Glu 291	Gln 291	SEE REMARK 999
Val 301	Thr 301	SEE REMARK 999
Glu 304	Lys 304	SEE REMARK 999
Leu 323	-	EXPRESSION TAG
Glu 324	-	EXPRESSION TAG
His 325	-	EXPRESSION TAG
His 326	-	EXPRESSION TAG
His 327	-	EXPRESSION TAG
His 328	-	EXPRESSION TAG
His 329	-	EXPRESSION TAG
His 330	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	149140.3
Non-Polymers*	Number of molecules	7
	Total formula weight	672.4
All*	Total formula weight	149812.7

*Water molecules are not included.