Structure of PDB 6pfh Chain A

Receptor sequence

>6pfhA (length=508) Species: 237895 (Cryptosporidium hominis) [Search protein sequence]

EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNAL
IMGRKTWDSIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLM
NDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPE
TFLPVYMSQTFCTKNISYDFMIFEKQEKKLKSIDDTVDLLGEIFGIRKMG
NRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAYRENRTGISTY
SIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIKGDTNGNHLIEKKV
YIWSGNGSKEYLERIGLGHREENDLGPIYGFQWRHYNGEYKTMHDDYTGV
GVDQLAKLIETLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTND
NCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEPGELAIFIGDA
HIYENHLTQLKEQLSRTPRPFPQLKFKRKVENIEDFKWEDIELIGYYPYP
TIKMDMAV

3D structure

PDB

6pfh Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.

Chain

Resolution

2.94 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	L25 D32 E294 W316 Y342 C402 R423 D426
Catalytic site (residue number reindexed from 1)	L23 D30 E281 W303 Y329 C389 R410 D413
Enzyme Commision number	1.5.1.3: dihydrofolate reductase. 2.1.1.45: thymidylate synthase.

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)
BS01	NDP	A	V10 A11 I19 G23 Q24 L25 G55 R56 K57 T58 I75 S76 S77 R92 C113 G114 G115 E116 S117	V8 A9 I17 G21 Q22 L23 G53 R54 K55 T56 I73 S74 S75 R90 C111 G112 G113 E114 S115
BS02	UFP	A	R257 C402 Q422 R423 S424 C425 D426 N434 H464 Y466	R244 C389 Q409 R410 S411 C412 D413 N421 H451 Y453
BS03	OFD	A	K284 I315 N319 G430 F433 I515 M519	K271 I302 N306 G417 F420 I502 M506
BS04	MTX	A	V9 V10 A11 L25 D32 L33 F36 S37 I62 R70	V7 V8 A9 L23 D30 L31 F34 S35 I60 R68
BS05	UFP	A	R382 R383	R369 R370

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0004146	dihydrofolate reductase activity
GO:0004799	thymidylate synthase activity
GO:0008168	methyltransferase activity
GO:0016491	oxidoreductase activity
GO:0016741	transferase activity, transferring one-carbon groups

	Biological Process
GO:0006231	dTMP biosynthetic process
GO:0006730	one-carbon metabolic process
GO:0009165	nucleotide biosynthetic process
GO:0032259	methylation
GO:0046654	tetrahydrofolate biosynthetic process

	Cellular Component
GO:0005739	mitochondrion
GO:0005829	cytosol

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:6pfh, PDBe:6pfh, PDBj:6pfh
PDBsum	6pfh
PubMed	31536894
UniProt	A0A0S4TER9

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