8THE

Cryo-EM structure of Pseudomonas aeruginosa TonB-dependent transporter PhuR in complex with synthetic antibody and heme

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Heme/hemoglobin uptake outer membrane receptor PhuR	polymer	777	86370.3	1	UniProt (Q9HV88) Pfam (PF07715) Pfam (PF00593) In PDB	Pseudomonas aeruginosa
2	H	Synthetic Antibody Heavy Chain	polymer	238	25525.4	1		Homo sapiens (human)
3	L	Synthetic Antibody Light Chain	polymer	215	23212.7	1		Homo sapiens (human)
4	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
5	A	(2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid	non-polymer		2018.5	1	Chemie (CTQ)
6		water	water		18.0	81	Chemie (HOH)

Sequence modifications

A: 26 - 764 (UniProt: Q9HV88)

PDB	External Database	Details
Met -12	-	initiating methionine
Lys -11	-	expression tag
Tyr -10	-	expression tag
Leu -9	-	expression tag
Leu -8	-	expression tag
Pro -7	-	expression tag
Thr -6	-	expression tag
Ala -5	-	expression tag
Ala -4	-	expression tag
Ala -3	-	expression tag
Gly -2	-	expression tag
Leu -1	-	expression tag
Leu 0	-	expression tag
Leu 1	-	expression tag
Leu 2	-	expression tag
Ala 3	-	expression tag
Ala 4	-	expression tag
Gln 5	-	expression tag
Pro 6	-	expression tag
Ala 7	-	expression tag
Met 8	-	expression tag
Ala 9	-	expression tag
Met 10	-	expression tag
Gly 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
Gly 18	-	expression tag
Glu 19	-	expression tag
Asn 20	-	expression tag
Leu 21	-	expression tag
Tyr 22	-	expression tag
Phe 23	-	expression tag
Gln 24	-	expression tag
Gly 25	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	135108.5
Non-Polymers*	Number of molecules	2
	Total formula weight	2635.0
All*	Total formula weight	137743.5

*Water molecules are not included.