3NA8

crystal structure of a putative dihydrodipicolinate synthetase from pseudomonas aeruginosa

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -4.256
• Hub Node: A(2)

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	-79.4553	-45.0854	-284.033	-408.5738	96	18	13	11802	4	42	38
A-D	-24.7485	8.1571	-305.866	-322.4574	134	19	9	12484	0	24	25
B-C	-21.2583	8.518	-267.972	-280.7124	134	23	9	12538	0	24	27
C-D	-62.9794	-40.8905	-272.209	-376.0789	95	18	15	11417	4	41	38

Interface residues

• A-B: ALA215A, ALA215B, ALA218A, ALA218B, ALA221A, ALA221B, ALA223A, ALA223B, ALA244A, ALA244B, ALA253A, ALA253B, ALA255A, ALA255B, ARG193B, ARG198A, ARG198B, ARG254A, ARG254B, ARG259A, ARG259B, ARG269A, ARG269B, ASN212A, ASN212B, ASP190A, ASP190B, ASP247A, ASP247B, ASP249A, ASP249B, ASP265A, ASP265B, GLN192A, GLN192B, GLN260A, GLN260B, GLU169A, GLU217A, GLU217B, GLU251A, GLU251B, GLY189A, GLY189B, GLY203A, GLY222A, GLY222B, GLY248A, GLY248B, HIS195A, HIS195B, ILE191A, ILE191B, LEU197A, LEU197B, LEU199A, LEU199B, LEU200A, LEU200B, LEU214A, LEU214B, LEU216A, LEU216B, LEU246A, LEU246B, LEU250A, LEU250B, LEU261A, LEU261B, LEU263A, LEU263B, LEU264A, LEU264B, LEU268A, LEU268B, LYS196A, LYS196B, LYS224B, LYS252A, LYS252B, PHE207A, PHE207B, PHE219A, PHE219B, PHE257A, PHE257B, PRO213A, PRO213B, PRO262A, PRO262B, TYR258A, TYR258B, VAL220A, VAL220B, VAL245A, VAL245B
• A-D: ALA106A, ALA106D, ALA136A, ALA136D, ALA144A, ALA144D, ALA229D, ALA296A, ALA296D, ALA72A, ALA72D, ARG110A, ARG143A, ARG143D, ARG269A, ARG269D, ARG270A, ARG270D, ARG291A, ARG291D, ASN134A, ASN134D, ASN158A, ASN158D, ASP102A, ASP102D, ASP298A, ASP76A, ASP76D, GLN140A, GLN140D, GLN295A, GLN295D, GLU135A, GLU135D, GLU137A, GLU137D, GLU70A, GLU70D, GLU78A, GLU78D, GLY160A, GLY160D, GLY163A, GLY163D, GLY271A, GLY271D, GLY66A, GLY66D, GLY69A, GLY69D, GLY71A, GLY71D, HIS141A, HIS141D, ILE128A, ILE128D, ILE164A, ILE164D, ILE267D, ILE276D, LEU103A, LEU103D, LEU126A, LEU126D, LEU133A, LEU133D, LEU268A, LEU268D, LEU272A, LEU272D, LEU292A, LEU292D, LEU297A, LEU297D, LEU65A, LEU74A, LEU74D, LYS107A, LYS107D, LYS132A, LYS132D, PHE139A, PHE139D, PHE266D, PHE36A, PRO127A, PRO127D, PRO159A, PRO159D, PRO273A, PRO273D, PRO290A, PRO290D, PRO293A, PRO293D, SER101A, SER101D, SER129A, SER129D, SER162A, SER162D, SER67A, SER67D, SER75A, SER75D, THR104A, THR104D, THR105A, THR105D, THR108A, THR108D, THR161A, THR161D, THR274A, THR274D, THR275D, THR68A, THR68D, TRP131A, TRP131D, TYR130A, TYR130D, TYR142A, TYR142D, TYR73A, TYR73D, VAL109A, VAL138A, VAL138D, VAL145A, VAL145D, VAL294A, VAL294D
• B-C: ALA106B, ALA106C, ALA136B, ALA136C, ALA144B, ALA144C, ALA296B, ALA296C, ALA72B, ALA72C, ARG111B, ARG143C, ARG269B, ARG269C, ARG270B, ARG270C, ARG291B, ARG291C, ASN134B, ASN134C, ASN158B, ASN158C, ASP102B, ASP102C, ASP298B, ASP298C, ASP76B, ASP76C, GLN140B, GLN140C, GLN295B, GLN295C, GLU135B, GLU135C, GLU137B, GLU137C, GLU70B, GLU70C, GLU78B, GLU78C, GLY160B, GLY160C, GLY163B, GLY163C, GLY271B, GLY271C, GLY66B, GLY66C, GLY69B, GLY69C, GLY71B, GLY71C, HIS141B, HIS141C, ILE128B, ILE128C, ILE164B, ILE164C, LEU103B, LEU103C, LEU126B, LEU126C, LEU133B, LEU133C, LEU268B, LEU268C, LEU272B, LEU272C, LEU292B, LEU292C, LEU297B, LEU297C, LEU65B, LEU65C, LEU74B, LEU74C, LYS107B, LYS107C, LYS132B, LYS132C, PHE139B, PHE139C, PHE36B, PHE36C, PRO127B, PRO127C, PRO159B, PRO159C, PRO273B, PRO273C, PRO290B, PRO290C, PRO293B, PRO293C, PRO77B, SER101B, SER101C, SER129B, SER129C, SER162B, SER162C, SER67B, SER67C, SER75B, SER75C, THR104B, THR104C, THR105B, THR105C, THR108B, THR108C, THR161B, THR161C, THR274B, THR274C, THR34B, THR68B, THR68C, TRP131B, TRP131C, TYR130B, TYR130C, TYR142B, TYR142C, TYR73B, TYR73C, VAL109B, VAL109C, VAL138B, VAL138C, VAL145B, VAL145C, VAL294B, VAL294C
• C-D: ALA215C, ALA215D, ALA218C, ALA218D, ALA221C, ALA221D, ALA223C, ALA223D, ALA244C, ALA244D, ALA253C, ALA253D, ALA255C, ALA255D, ARG198C, ARG198D, ARG254C, ARG254D, ARG259C, ARG259D, ARG269C, ARG269D, ASN212C, ASN212D, ASP190C, ASP190D, ASP247C, ASP247D, ASP249C, ASP249D, ASP265C, ASP265D, GLN192C, GLN192D, GLN260C, GLN260D, GLU217C, GLU217D, GLU251C, GLU251D, GLY189C, GLY189D, GLY222C, GLY222D, GLY248C, GLY248D, HIS195C, HIS195D, ILE191C, ILE191D, LEU197C, LEU197D, LEU199C, LEU199D, LEU200C, LEU200D, LEU214C, LEU214D, LEU216C, LEU216D, LEU241D, LEU246C, LEU246D, LEU250C, LEU250D, LEU256C, LEU261C, LEU261D, LEU263C, LEU263D, LEU264C, LEU264D, LEU268C, LEU268D, LYS196C, LYS196D, LYS224D, LYS252C, LYS252D, PHE207C, PHE207D, PHE219C, PHE219D, PHE257C, PHE257D, PRO213C, PRO213D, PRO262C, PRO262D, TYR258C, TYR258D, VAL220C, VAL220D, VAL245C, VAL245D