Structure of PDB 1f28 Chain B

Receptor sequence
>1f28B (length=295) Species: 4754 (Pneumocystis carinii) [Search protein sequence]
NAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFPLL
TTKRVFIRGVIEELLWFIRGETDSLKLREKNIHIWDANGSREYLDSIGLT
KRQEGDLGPIYGFQWRHFGAEYIDCKTNYIGQGVDQLANIIQKIRTSPYD
RRLILSAWNPADLEKMALPPCHMFCQFYVHIPSNNHRPELSCQLYQRSCD
MGLGVPFNIASYALLTCMIAHVCDLDPGDFIHVMGDCHIYKDHIEALQQQ
LTRSPRPFPTLSLNRSITDIEDFTLDDFNIQNYHPYETIKMKMSI
3D structure
PDB1f28 Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking.
ChainB
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E65 W87 Y113 C173 R199 D202
Catalytic site (residue number reindexed from 1) E63 W85 Y111 C171 R197 D200
Enzyme Commision number 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)		 Binding affinity
BS01 UMP B R153 R154 R151 R152
BS02 UMP B R26 L170 C173 Q198 R199 S200 D202 N210 H240 Y242 R24 L168 C171 Q196 R197 S198 D200 N208 H238 Y240
BS03 F89 B F58 E65 I86 W87 D202 G206 F209 Y242 M295 F56 E63 I84 W85 D200 G204 F207 Y240 M293 MOAD: Ki=16nM
PDBbind-CN: -logKd/Ki=7.80,Ki=16nM
Gene Ontology
Molecular Function
GO:0004799 thymidylate synthase activity
GO:0008168 methyltransferase activity
GO:0016741 transferase activity, transferring one-carbon groups
Biological Process
GO:0006231 dTMP biosynthetic process
GO:0006235 dTTP biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0032259 methylation
Cellular Component
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:1f28, PDBe:1f28, PDBj:1f28
PDBsum1f28
PubMed11358692
UniProtP13100|TYSY_PNECA Thymidylate synthase (Gene Name=THYA)

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