Structure of PDB 4dhl Chain B

Receptor sequence

>4dhlB (length=425) Species: 3885 (Phaseolus vulgaris)

NRDMPLDSDVFRVPPGYNAPQQVHITQGDLVGRAMIISWVTMDEPGSSAV
RYWSEKNGRKRIAKGKMSTYRFFNYSSGFIHHTTIRKLKYNTKYYYEVGL
RNTTRRFSFITPPQTGLDVPYTFGLIGDLGQSFDSNTTLSHYELSPKKGQ
TVLFVGDLSYADRYPNHDNVRWDTWGRFTERSVAYQPWIWTAGNHEIEFA
PEINETEPFKPFSYRYHVPYEASQSTSPFWYSIKRASAHIIVLSSYSAYG
RGTPQYTWLKKELRKVKRSETPWLIVLMHSPLYNSYNHHFMEGEAMRTKF
EAWFVKYKVDVVFAGHVHAYERSERVSNIAYKITNGLCTPVKDQSAPVYI
TIGDAGNYGVIDSNMIQPQPEYSAFREASFGHGMFDIKNRTHAHFSWNRN
QDGVAVEADSVWFFNRHWYPVDDST

3D structure

• PDB: 4dhl Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
• Chain: B
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D135 D164 Y167 N201 H202 H286 H295 H296 H323 H325
• Catalytic site (residue number reindexed from 1): D128 D157 Y160 N194 H195 H279 H288 H289 H316 H318
• Enzyme Commision number: 3.1.3.2: acid phosphatase.

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	ZN	B	D164 N201 H286 H323	D157 N194 H279 H316
BS02	FE	B	D135 D164 Y167 H325	D128 D157 Y160 H318
BS03	0K7	B	D164 N201 H202 H296 H323 H325	D157 N194 H195 H289 H316 H318	MOAD: Ki=33uM

Gene Ontology

Molecular Function

• GO:0003993 acid phosphatase activity
• GO:0008199 ferric iron binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4dhl, PDBe:4dhl, PDBj:4dhl
• PDBsum: 4dhl
• PubMed: 22943065
• UniProt: P80366|PPAF_PHAVU Fe(3+)-Zn(2+) purple acid phosphatase