3SLH

1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -3.3668
• 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	-24.5545	-48.3909	-152.631	-225.5764	67	5	1	6542	4	13	9
A-C	-12.3673	-30.2837	-33.9799	-76.6308	42	4	0	2338	0	15	19
A-D	-22.8014	2.835	-99.1829	-119.1493	83	2	0	4309	0	21	15
B-C	-6.5217	-15.4638	-35.1347	-57.1202	44	1	0	1526	4	25	12
C-D	0.0	0.0	-0.0308	-0.0308	2	0	0	9	0	0	8

Interface residues

• A-B: ALA225A, ALA32A, ALA34A, ALA61A, ALA84A, ARG404B, ARG406B, ARG433B, ARG435B, ASN423B, ASN428B, ASP2B, GLN108A, GLN37A, GLN4B, GLN57A, GLN58A, GLN64A, GLN83A, GLN9B, GLU35A, GLU379B, GLU75A, GLU87A, GLY36A, GLY377B, GLY378B, GLY401B, GLY431B, GLY434B, GLY436B, GLY60A, GLY76A, GLY78A, GLY81A, ILE405B, ILE63A, ILE6B, LEU56A, LEU82A, LYS222A, LYS224A, LYS400B, LYS430B, MET427B, MET59A, MET79A, PHE110A, PRO109A, PRO402B, PRO7B, PRO85A, PRO86A, SER54A, SER62A, SER8B, THR38A, THR5B, THR80A, TYR3B, VAL403B, VAL429B, VAL432B, VAL53A, VAL73A, VAL74A, VAL77A
• A-C: ALA225C, ALA84A, ARG155A, ARG182A, ARG199C, ASN111A, ASN153A, ASN226C, ASN286C, ASP227C, GLN108A, GLN37C, GLN39C, GLU284C, GLU287C, GLU288C, GLU35C, GLY136A, GLY152A, GLY158A, GLY183A, GLY36C, HIS203C, HIS205C, ILE159A, LEU134A, LEU156A, LYS138A, LYS184A, LYS202C, LYS222C, LYS224C, LYS285C, MET135A, PHE110A, PRO109A, PRO154A, PRO289C, THR157A, THR283C, THR38C, TYR151A
• A-D: ALA166A, ALA251D, ALA298D, ALA325D, ALA327D, ALA336A, ALA337A, ALA348A, ALA422D, ARG122A, ARG123A, ARG127A, ARG296D, ARG299D, ARG334A, ARG340A, ARG99A, ASN144A, ASN423D, ASN428D, ASP130A, ASP276D, ASP335A, ASP345A, ASP366A, GLN162A, GLN328D, GLN9D, GLU14D, GLU338A, GLU424D, GLY10D, GLY13D, GLY143A, GLY249D, GLY329D, GLY372D, GLY373D, GLY426D, HIS297D, ILE128A, ILE129A, ILE252D, ILE369A, ILE6D, LEU11D, LEU134A, LEU163A, LEU333A, LEU364A, LEU375D, LEU398D, LYS126A, LYS400D, MET125A, MET165A, MET427D, PRO124A, PRO131A, PRO146A, PRO164A, PRO190A, PRO248D, PRO307A, PRO365A, PRO7D, SER12D, SER141A, SER250D, SER363A, SER8D, THR142A, THR188A, THR247D, THR294D, THR374D, TYR161A, VAL145A, VAL310A, VAL326D, VAL332A, VAL341A, VAL425D
• B-C: ARG155C, ARG182C, ARG253B, ARG256B, ASN417B, ASN423B, ASN70B, ASP211C, ASP292B, ASP68B, CYS16B, CYS186C, CYS216C, CYS255B, GLN162C, GLN209C, GLN213C, GLU14B, GLU420B, GLU424B, GLU67B, GLU69B, GLY13B, GLY183C, GLY219C, GLY220C, GLY221C, HIS160C, HIS281B, ILE159C, ILE15B, ILE66B, ILE71B, LEU421B, LYS184C, LYS212C, SER214C, SER218C, THR157C, THR188C, THR207C, TYR161C, TYR206C, VAL217C
• C-D: ASP68C, ASP68D