Structure of PDB 5zt1 Chain A

Receptor sequence

>5zt1A (length=330) Species: 623 (Shigella flexneri)

SHMHTQVGRGLLGAVVNPLGEVTDKFAVTDNSEILYRPVDNAPPLYSERA
AIEKPFLTGIKVIDSLLTCGEGQRMGIFASAGCGKTFLMNMLIEHSGADI
YVIGLIGERGREVTETVDYLKNSEKKSRCVLVYATSDYSSVDRCNAAYIA
TAIAEFFRTEGHKVALFIDSLTRYARALRDVALAAGESPARRGYPVSVFD
SLPRLLERPGKLKAGGSITAFYTVLLEADPLAEEVRSILDGHIYLSRNLA
QKGQFPAIDSLKSISRVFTQVVDEKHRIMAAAFRELLSEIEELRTIKIYN
KISVVESFLKQDYRLGFTYEQTMELIGETI

3D structure

• PDB: 5zt1 Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
• Chain: A
• Resolution: 3.114 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K165 E188 R189 R350
• Catalytic site (residue number reindexed from 1): K85 E108 R109 R266
• Enzyme Commision number: 7.4.2.8: protein-secreting ATPase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	A	Y126 S127	Y46 S47
BS02	AGS	A	G162 G164 K165 T166 F167 F339 Y412	G82 G84 K85 T86 F87 F255 Y313	PDBbind-CN: -logKd/Ki=4.67,Kd=21.23uM
BS03	MG	A	E188 S250 R253	E108 S170 R173
BS04	MG	A	K141 V142 Q410	K61 V62 Q311
BS05	MG	A	G164 K165	G84 K85
BS06	MG	A	R320 L323 G325 R350	R236 L239 G241 R266
BS07	MG	A	T231 L285 Y302	T151 L205 Y222
BS08	MG	A	T252 D313 L315	T172 D229 L231
BS09	MG	A	E235 R238	E155 R158
BS10	MG	A	S297 T299	S217 T219

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity

Biological Process

• GO:0009058 biosynthetic process
• GO:0030254 protein secretion by the type III secretion system

Cellular Component

• GO:0005737 cytoplasm
• GO:0030257 type III protein secretion system complex

External links

• PDB: RCSB:5zt1, PDBe:5zt1, PDBj:5zt1
• PDBsum: 5zt1
• PubMed: 30013545
• UniProt: P0A1C1|SCTN_SHIFL Type 3 secretion system ATPase (Gene Name=sctN)