7KP2 | pdb_00007kp2

Deposited: 2020-11-10 Released: 2021-11-17
Deposition Author(s): Minasov, G., Shuvalova, L., Kiryukhina, O., Pshenychnyi, S., Dubrovska, I., Endres, M., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID)
Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.1 of the entry. See complete history.

Literature

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Putative Pterin Binding Protein	A	138	Vibrio cholerae O1 biovar El Tor str. N16961	Mutation(s): 0 Gene Names: VC_1933
UniProt
Find proteins for Q9KQR5 (Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)) Explore Q9KQR5 Go to UniProtKB: Q9KQR5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9KQR5
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NEU (Subject of Investigation/LOI) Query on NEU Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	L-NEOPTERIN C₉ H₁₁ N₅ O₄ BMQYVXCPAOLZOK-XINAWCOVSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
MSE Query on MSE	A	L-PEPTIDE LINKING	C₅ H₁₁ N O₂ Se		MET

Experimental Data & Validation

Diffraction Data: https://doi.org/10.18430/m37kp2

Space Group: P 1 2₁ 1

Unit Cell:

Software Package:

Entry History & Funding Information

Deposition Author(s):

Minasov, G.

Funding Organization	Location	Grant Number
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)	United States	--

Version 1.0: 2021-11-17
Type: Initial release
Version 2.0: 2022-08-17
Type: Coordinate replacement
Reason: Ligand geometry
Changes: Atomic model, Author supporting evidence, Data collection, Derived calculations, Non-polymer description, Other, Refinement description, Source and taxonomy, Structure summary
Version 2.1: 2024-10-16
Changes: Data collection, Structure summary