3GD5

crystal structure of ornithine carbamoyltransferase from gloeobacter violaceus

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 78
  • Norm. En. per Res.: -5.0202
• 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	-34.0568	-147.8477	-209.672	-391.5765	78	16	9	8714	12	28	32
A-C	-25.4773	-144.4377	-205.881	-375.796	77	10	10	8713	12	28	32
A-F	-17.1634	-26.9103	-81.7157	-125.7894	47	8	0	3202	2	20	17
B-C	-22.116	-136.5859	-210.988	-369.6899	79	11	10	8754	12	28	33
B-E	-8.6223	-26.2697	-96.6319	-131.5239	52	4	0	3516	3	20	19
C-D	-3.4324	-29.0565	-105.087	-137.5759	51	4	0	3757	2	20	18
D-E	-15.621	-132.0928	-203.905	-351.6188	77	11	9	8577	11	26	33
D-F	-31.7186	-145.2332	-201.234	-378.1858	78	16	10	8769	11	28	32
E-F	-38.7577	-139.5308	-213.903	-392.1915	80	8	12	8834	11	27	32

Interface residues

• A-B: ALA143B, ALA275B, ALA297B, ALA303B, ALA69B, ARG102A, ARG277B, ARG292B, ARG300B, ARG61B, ARG63B, ARG94A, ARG98A, ASN299B, ASP105A, ASP283B, ASP295B, ASP79A, ASP79B, ASP95A, CYS272B, GLN140B, GLN304B, GLN72B, GLN76A, GLN76B, GLU287B, GLU296B, GLU298B, GLU91A, GLY101A, GLY48A, GLY52A, GLY74B, GLY75A, GLY75B, HIS276B, HIS302B, HIS47A, HIS47B, ILE281B, ILE293B, ILE78A, LEU100A, LEU107A, LEU273B, LEU301B, LEU51A, LEU53A, LEU53B, LEU80A, LYS38B, LYS49A, MET286B, MET70B, PHE66B, PRO274B, PRO92A, SER291B, SER59B, SER65B, THR60B, THR62B, THR67B, THR96A, TRP294B, TYR103A, TYR123A, TYR71A, TYR71B, VAL104A, VAL50A, VAL54A, VAL64B, VAL68B, VAL77A, VAL77B, VAL99A
• A-C: ALA143A, ALA275A, ALA297A, ALA303A, ALA69A, ALA97C, ARG102C, ARG277A, ARG292A, ARG300A, ARG61A, ARG63A, ARG94C, ARG98C, ASN299A, ASP105C, ASP283A, ASP295A, ASP79A, ASP79C, ASP95C, GLN140A, GLN304A, GLN72A, GLN76A, GLN76C, GLU287A, GLU296A, GLU298A, GLU91C, GLY101C, GLY48C, GLY52C, GLY74A, GLY75A, GLY75C, HIS276A, HIS302A, HIS47A, HIS47C, ILE293A, ILE78C, LEU100C, LEU107C, LEU273A, LEU301A, LEU51C, LEU53A, LEU53C, LEU80C, LYS38A, LYS49C, MET286A, MET70A, PHE66A, PRO274A, PRO92C, SER291A, SER59A, SER65A, THR60A, THR62A, THR67A, THR96C, TRP294A, TYR103C, TYR123C, TYR71A, TYR71C, VAL104C, VAL50C, VAL54C, VAL64A, VAL68A, VAL77A, VAL77C, VAL99C
• A-F: ALA170A, ALA170F, ARG217A, ARG217F, ARG246A, ARG246F, ASN167A, ASN167F, ASN168F, ASP165A, ASP165F, ASP195A, ASP195F, GLN248A, GLN248F, GLN252A, GLU190A, GLU190F, GLY164A, GLY166A, GLY166F, GLY191A, GLY191F, HIS171A, HIS171F, HIS245A, HIS245F, LEU249A, LEU249F, PHE192A, PHE192F, PHE250A, PHE250F, PRO189A, PRO189F, PRO194A, PRO194F, PRO196A, PRO196F, THR188A, THR188F, THR193A, THR193F, THR235A, THR235F, TYR253A, TYR253F
• B-C: ALA275C, ALA297C, ALA303C, ALA69C, ALA97B, ARG102B, ARG277C, ARG292C, ARG300C, ARG61C, ARG63C, ARG94B, ARG98B, ASN299C, ASP105B, ASP283C, ASP295C, ASP79B, ASP79C, ASP95B, GLN140C, GLN304C, GLN72C, GLN76B, GLN76C, GLU287C, GLU296C, GLU298C, GLU91B, GLY101B, GLY288C, GLY48B, GLY52B, GLY74C, GLY75B, GLY75C, HIS276C, HIS302C, HIS47B, HIS47C, ILE281C, ILE293C, ILE78B, LEU100B, LEU107B, LEU273C, LEU301C, LEU51B, LEU53B, LEU53C, LEU80B, LYS38C, LYS49B, MET286C, MET70C, PHE66C, PRO274C, PRO92B, SER291C, SER59C, SER65C, THR147C, THR60C, THR62C, THR67C, THR96B, TRP294C, TYR103B, TYR123B, TYR71B, TYR71C, VAL104B, VAL50B, VAL54B, VAL64C, VAL68C, VAL77B, VAL77C, VAL99B
• B-E: ALA170B, ALA170E, ARG217B, ARG217E, ARG246B, ARG246E, ASN167B, ASN167E, ASN168B, ASN168E, ASP165B, ASP165E, ASP195B, ASP195E, GLN248B, GLN248E, GLN252B, GLN252E, GLU190B, GLU190E, GLY164E, GLY166B, GLY166E, GLY191B, GLY191E, HIS171B, HIS171E, HIS245B, HIS245E, LEU247B, LEU247E, LEU249B, LEU249E, PHE192B, PHE192E, PHE250B, PHE250E, PRO189B, PRO189E, PRO194B, PRO194E, PRO196B, PRO196E, THR188B, THR188E, THR193B, THR193E, THR235B, THR235E, TYR162E, TYR253B, TYR253E
• C-D: ALA170C, ALA170D, ARG217C, ARG217D, ARG246C, ARG246D, ASN167C, ASN167D, ASN168C, ASN168D, ASP165C, ASP165D, ASP195C, ASP195D, GLN248C, GLN248D, GLN252C, GLN252D, GLU190C, GLU190D, GLY164C, GLY164D, GLY166C, GLY166D, GLY191C, GLY191D, HIS171C, HIS171D, HIS245C, HIS245D, LEU247D, LEU249C, LEU249D, PHE192C, PHE192D, PHE250C, PHE250D, PRO189C, PRO189D, PRO194C, PRO194D, PRO196C, PRO196D, THR188C, THR188D, THR193C, THR193D, THR235C, THR235D, TYR253C, TYR253D
• D-E: ALA275E, ALA297E, ALA303E, ALA69E, ALA97D, ARG102D, ARG277E, ARG292E, ARG300E, ARG61E, ARG63E, ARG94D, ARG98D, ASN299E, ASP105D, ASP283E, ASP295E, ASP79D, ASP79E, ASP95D, CYS272E, GLN304E, GLN72E, GLN76D, GLN76E, GLU287E, GLU296E, GLU298E, GLU91D, GLY101D, GLY48D, GLY52D, GLY74E, GLY75D, GLY75E, HIS276E, HIS302E, HIS47D, ILE281E, ILE293E, ILE78D, LEU100D, LEU107D, LEU273E, LEU301E, LEU51D, LEU53D, LEU53E, LEU80D, LYS38E, LYS49D, MET286E, MET70E, PHE66E, PRO274E, PRO92D, SER291E, SER59E, SER65E, THR60E, THR62E, THR67E, THR96D, TRP294E, TYR103D, TYR123D, TYR71D, TYR71E, VAL104D, VAL233E, VAL50D, VAL54D, VAL64E, VAL68E, VAL77D, VAL77E, VAL99D
• D-F: ALA143D, ALA275D, ALA297D, ALA303D, ALA69D, ALA97F, ARG102F, ARG277D, ARG292D, ARG300D, ARG61D, ARG63D, ARG94F, ARG98F, ASN299D, ASP105F, ASP283D, ASP295D, ASP79D, ASP79F, ASP95F, GLN304D, GLN72D, GLN76D, GLN76F, GLU287D, GLU296D, GLU298D, GLU91F, GLY101F, GLY48F, GLY52F, GLY74D, GLY75D, GLY75F, HIS276D, HIS302D, HIS47D, HIS47F, ILE281D, ILE293D, ILE78F, LEU100F, LEU107F, LEU273D, LEU301D, LEU51F, LEU53D, LEU53F, LEU80F, LYS38D, LYS49F, MET286D, MET70D, PHE66D, PRO274D, PRO92F, SER291D, SER59D, SER65D, THR147D, THR60D, THR62D, THR67D, THR96F, TRP294D, TYR103F, TYR123F, TYR71D, TYR71F, VAL104F, VAL50F, VAL54F, VAL64D, VAL68D, VAL77D, VAL77F, VAL99F
• E-F: ALA143F, ALA275F, ALA297F, ALA303F, ALA69F, ALA97E, ARG102E, ARG277F, ARG292F, ARG300F, ARG61F, ARG63F, ARG94E, ARG98E, ASN299F, ASP105E, ASP283F, ASP295F, ASP79E, ASP79F, ASP95E, CYS272F, GLN140F, GLN304F, GLN72F, GLN76E, GLN76F, GLU287F, GLU296F, GLU298F, GLU91E, GLY101E, GLY48E, GLY52E, GLY74F, GLY75E, GLY75F, HIS276F, HIS302F, HIS47E, HIS47F, ILE281F, ILE293F, ILE78E, LEU100E, LEU107E, LEU273F, LEU301F, LEU51E, LEU53E, LEU53F, LEU80E, LYS38F, LYS49E, MET286F, MET70F, PHE66F, PRO274F, PRO92E, SER291F, SER59F, SER65F, THR60F, THR62F, THR67F, THR96E, TRP294F, TYR103E, TYR120E, TYR123E, TYR71E, TYR71F, VAL104E, VAL50E, VAL54E, VAL64F, VAL68F, VAL77E, VAL77F, VAL99E