1N8F

crystal structure of e24q mutant of phenylalanine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase (dahp synthase) from escherichia coli in complex with mn2+ and pep

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 222
  • Norm. En. per Res.: -4.5131
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-227.5229	6.0245	-768.816	-990.3144	229	33	26	31113	4	68	74
A-C	-11.1827	6.5092	-136.706	-141.3795	41	6	5	5613	0	4	12
A-D	0.0	11.4868	-11.6851	-0.1983	13	0	0	240	0	2	4
B-C	0.0	11.6396	-12.2379	-0.5983	14	0	0	253	0	2	4
B-D	-8.5885	-0.8034	-145.565	-154.9569	43	3	5	5683	0	4	12
C-D	-217.1029	-11.4248	-773.37	-1001.8977	222	38	27	30737	4	68	74

Interface residues

• A-B: ALA154A, ALA154B, ALA164A, ALA164B, ALA176A, ALA176B, ALA199A, ALA199B, ALA202A, ALA202B, ALA203A, ALA203B, ALA205A, ALA205B, ALA219A, ALA219B, ALA256A, ALA256B, ARG165A, ARG165B, ARG173A, ARG173B, ARG234A, ARG234B, ARG40A, ARG40B, ARG99A, ARG99B, ARG9A, ARG9B, ASN109A, ASN109B, ASN115A, ASN115B, ASN120A, ASN120B, ASN201A, ASN201B, ASN222A, ASN222B, ASN226A, ASN226B, ASP110A, ASP110B, ASP121A, ASP121B, ASP146A, ASP146B, ASP155A, ASP155B, ASP190A, ASP190B, ASP198A, ASP198B, ASP228A, ASP228B, CYS181A, CYS181B, CYS208A, CYS208B, CYS229A, CYS229B, GLN118A, GLN118B, GLN151A, GLN151B, GLN170A, GLN170B, GLU12A, GLU12B, GLU143A, GLU143B, GLU15A, GLU15B, GLU168A, GLU168B, GLU174A, GLU174B, GLU96A, GLU96B, GLY103A, GLY103B, GLY106A, GLY106B, GLY122A, GLY122B, GLY178A, GLY178B, GLY188A, GLY188B, GLY191A, GLY191B, GLY204A, GLY204B, GLY216A, GLY216B, GLY225A, GLY225B, GLY227A, GLY227B, HIS172A, HIS172B, HIS207A, HIS207B, HIS217A, HIS217B, HIS44A, HIS44B, ILE108A, ILE108B, ILE10A, ILE10B, ILE119A, ILE119B, ILE13A, ILE13B, ILE148A, ILE148B, ILE197A, ILE197B, ILE200A, ILE200B, ILE220A, ILE220B, LEU123A, LEU123B, LEU145A, LEU145B, LEU16A, LEU16B, LEU175A, LEU175B, LEU179A, LEU179B, LEU17A, LEU17B, LEU210A, LEU210B, LEU47A, LEU47B, LEU8A, LEU8B, LYS105A, LYS105B, LYS11A, LYS11B, LYS14A, LYS14B, LYS194A, LYS194B, LYS214A, LYS214B, LYS237A, LYS237B, LYS273A, LYS48A, LYS48B, LYS97A, LYS97B, MET147A, MET147B, PHE117A, PHE117B, PHE144A, PHE144B, PHE209A, PHE209B, PRO150A, PRO150B, PRO182A, PRO182B, PRO18A, PRO18B, PRO19A, PRO19B, PRO206A, PRO206B, PRO98A, PRO98B, SER116A, SER116B, SER169A, SER169B, SER177A, SER177B, SER180A, SER180B, SER211A, SER211B, SER218A, SER218B, SER224A, SER224B, THR100A, THR100B, THR101A, THR101B, THR149A, THR149B, THR166A, THR166B, THR167A, THR167B, THR189A, THR189B, THR192A, THR192B, THR213A, THR213B, THR223A, THR223B, TRP104A, TRP104B, TRP215A, TRP215B, TYR152A, TYR152B, VAL102A, VAL102B, VAL171A, VAL171B, VAL183A, VAL183B, VAL195A, VAL195B, VAL212A, VAL212B, VAL221A, VAL221B
• A-C: ALA21A, ALA21C, ARG124A, ARG124C, ASN120A, ASN120C, GLN24A, GLN24C, GLU15A, GLU15C, GLY216A, GLY216C, HIS217A, HIS217C, LEU16A, LEU16C, LEU17A, LEU17C, LEU22A, LEU22C, LEU23A, LEU23C, LYS14A, LYS14C, LYS214A, LYS214C, LYS25A, LYS25C, PHE26A, PHE26C, PRO18A, PRO18C, PRO19A, PRO19C, PRO27A, PRO27C, THR213C, TRP215A, TRP215C, VAL20A, VAL20C
• A-D: ALA219A, ALA219D, GLU15A, GLY216A, GLY216D, HIS217A, HIS217D, ILE13D, SER218A, SER218D, THR213D, TRP215A, TRP215D
• B-C: ALA219B, ALA219C, GLU15B, GLY216B, GLY216C, HIS217B, HIS217C, ILE13C, SER218B, SER218C, THR213B, THR213C, TRP215B, TRP215C
• B-D: ALA21B, ALA21D, ARG124B, ARG124D, ASN120B, ASN120D, GLN24B, GLN24D, GLU15B, GLU15D, GLY216B, GLY216D, HIS217B, HIS217D, LEU16B, LEU16D, LEU17B, LEU17D, LEU22B, LEU22D, LEU23B, LEU23D, LYS14B, LYS14D, LYS214B, LYS214D, LYS25B, LYS25D, PHE26B, PHE26D, PRO18B, PRO18D, PRO19B, PRO19D, PRO27B, PRO27D, THR213B, THR213D, TRP215B, TRP215D, TYR152D, VAL20B, VAL20D
• C-D: ALA164C, ALA164D, ALA176C, ALA176D, ALA199C, ALA199D, ALA202C, ALA202D, ALA203C, ALA203D, ALA205C, ALA205D, ALA219C, ALA219D, ALA256C, ARG165C, ARG165D, ARG173C, ARG173D, ARG234C, ARG234D, ARG40C, ARG40D, ARG99C, ARG99D, ARG9C, ARG9D, ASN109C, ASN109D, ASN115C, ASN115D, ASN120C, ASN120D, ASN201C, ASN201D, ASN222C, ASN222D, ASN226C, ASN226D, ASP110C, ASP110D, ASP121C, ASP121D, ASP146C, ASP146D, ASP155C, ASP155D, ASP190C, ASP190D, ASP198C, ASP198D, ASP228C, ASP228D, CYS181C, CYS181D, CYS208C, CYS208D, CYS229C, CYS229D, GLN118C, GLN118D, GLN151C, GLN151D, GLN170C, GLN170D, GLU12C, GLU12D, GLU143C, GLU143D, GLU15C, GLU15D, GLU168C, GLU168D, GLU174C, GLU174D, GLU96C, GLU96D, GLY103C, GLY103D, GLY106C, GLY106D, GLY122C, GLY122D, GLY178C, GLY178D, GLY188C, GLY188D, GLY191C, GLY204C, GLY204D, GLY216C, GLY216D, GLY225C, GLY225D, GLY227C, GLY227D, HIS172C, HIS172D, HIS207C, HIS207D, HIS217C, HIS217D, HIS44C, HIS44D, ILE108C, ILE108D, ILE10C, ILE10D, ILE119C, ILE119D, ILE13C, ILE13D, ILE148C, ILE148D, ILE197C, ILE197D, ILE200C, ILE200D, ILE220C, ILE220D, LEU123C, LEU123D, LEU145C, LEU145D, LEU16C, LEU16D, LEU175C, LEU175D, LEU179C, LEU179D, LEU17C, LEU17D, LEU210C, LEU210D, LEU258D, LEU47C, LEU47D, LEU8C, LEU8D, LYS105C, LYS105D, LYS11C, LYS11D, LYS14C, LYS14D, LYS194C, LYS194D, LYS214C, LYS214D, LYS237D, LYS97C, LYS97D, MET147C, MET147D, PHE117C, PHE117D, PHE144C, PHE144D, PHE209C, PHE209D, PRO150C, PRO150D, PRO182C, PRO182D, PRO18C, PRO18D, PRO19C, PRO19D, PRO206C, PRO206D, PRO98C, PRO98D, SER116C, SER116D, SER169C, SER169D, SER177C, SER177D, SER180C, SER180D, SER211C, SER211D, SER218C, SER218D, SER224C, SER224D, THR100C, THR100D, THR101C, THR101D, THR149C, THR149D, THR166C, THR166D, THR167C, THR167D, THR189C, THR189D, THR192C, THR192D, THR213C, THR213D, THR223C, THR223D, TRP104C, TRP104D, TRP215C, TRP215D, TYR152C, TYR152D, VAL102C, VAL102D, VAL171C, VAL171D, VAL183C, VAL183D, VAL195C, VAL195D, VAL212C, VAL212D, VAL221C, VAL221D