5KQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1A	C1	doub	1.21Å	1.25Å
O4	C4	sing	1.43Å	1.44Å
C1	O1B	sing	1.34Å	1.25Å
C1	C2	sing	1.51Å	1.53Å
C4	C3	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.52Å
C2	O2	sing	1.43Å	1.43Å
C2	O6	sing	1.43Å	1.44Å
N5	C5	sing	1.46Å	1.47Å
N5	C10	sing	1.35Å	1.34Å
C5	C6	sing	1.53Å	1.52Å
C11	C10	sing	1.51Å	1.53Å
C6	O6	sing	1.43Å	1.44Å
C6	C7	sing	1.53Å	1.51Å
C10	O10	doub	1.21Å	1.23Å
O8	C8	sing	1.43Å	1.42Å
C8	C7	sing	1.53Å	1.51Å
C8	C9	sing	1.53Å	1.50Å
C7	O7	sing	1.43Å	1.43Å
NAD	C9	sing	1.47Å	1.47Å
NAD	CAB	sing	1.35Å	1.34Å
CAA	CAB	sing	1.51Å	1.53Å
CAB	OAC	doub	1.21Å	1.23Å
C11	H111	sing	1.09Å	1.10Å
C11	H113	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
N5	HN5	sing	0.97Å	1.00Å
C5	H5	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C3	H32	sing	1.09Å	1.10Å
C3	H31	sing	1.09Å	1.10Å
O1B	HO1B	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å
C8	H8	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C9	H92	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
NAD	H19	sing	0.97Å	1.00Å
CAA	H20	sing	1.09Å	1.10Å
CAA	H21	sing	1.09Å	1.10Å
CAA	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	C1	O1B	126.1°	120.0°
O1A	C1	C2	116.9°	120.0°
O4	C4	C3	109.5°	109.5°
O4	C4	C5	109.5°	109.5°
O4	C4	H4	110.2°	109.7°
C4	O4	HO4	109.5°	114.0°
O1B	C1	C2	117.1°	120.0°
C1	O1B	HO1B	109.5°	117.0°
C1	C2	C3	109.7°	109.5°
C1	C2	O2	109.3°	109.5°
C1	C2	O6	110.0°	109.5°
C3	C4	C5	109.3°	109.0°
C4	C3	C2	109.8°	109.2°
C3	C4	H4	109.1°	109.6°
C4	C3	H32	109.4°	109.5°
C4	C3	H31	109.4°	109.5°
C4	C5	N5	109.7°	109.5°
C4	C5	C6	109.3°	109.1°
C4	C5	H5	109.3°	109.5°
C5	C4	H4	109.1°	109.5°
C3	C2	O2	109.4°	109.5°
C3	C2	O6	109.8°	109.4°
C2	C3	H32	109.4°	109.5°
C2	C3	H31	109.4°	109.5°
O2	C2	O6	108.6°	109.5°
C2	O2	HO2	109.5°	114.0°
C2	O6	C6	111.6°	114.1°
C5	N5	C10	123.5°	120.0°
N5	C5	C6	109.5°	109.5°
C5	N5	HN5	118.2°	120.0°
N5	C5	H5	109.9°	109.5°
N5	C10	C11	114.9°	120.0°
N5	C10	O10	124.0°	120.0°
C10	N5	HN5	118.2°	120.0°
C5	C6	O6	109.8°	109.4°
C5	C6	C7	114.5°	109.5°
C6	C5	H5	109.3°	109.6°
C5	C6	H6	107.9°	109.5°
C11	C10	O10	121.1°	120.0°
C10	C11	H111	109.5°	109.4°
C10	C11	H113	109.4°	109.5°
C10	C11	H112	109.4°	109.5°
O6	C6	C7	107.7°	109.5°
O6	C6	H6	108.9°	109.5°
C6	C7	C8	107.1°	109.4°
C6	C7	O7	120.6°	109.5°
C7	C6	H6	108.0°	109.5°
C6	C7	H7	104.5°	109.5°
O8	C8	C7	106.7°	109.5°
O8	C8	C9	107.0°	109.5°
O8	C8	H8	111.8°	109.5°
C8	O8	HO8	109.5°	114.0°
C7	C8	C9	110.1°	109.5°
C8	C7	O7	113.2°	109.5°
C8	C7	H7	104.5°	109.4°
C7	C8	H8	110.5°	109.5°
C8	C9	NAD	109.6°	109.5°
C9	C8	H8	110.6°	109.4°
C8	C9	H92	109.5°	109.5°
C8	C9	H91	109.5°	109.5°
O7	C7	H7	105.3°	109.5°
C7	O7	HO7	109.5°	114.0°
C9	NAD	CAB	122.1°	120.0°
NAD	C9	H92	109.4°	109.4°
NAD	C9	H91	109.4°	109.5°
C9	NAD	H19	119.0°	120.0°
NAD	CAB	CAA	115.0°	120.0°
NAD	CAB	OAC	124.0°	120.0°
CAB	NAD	H19	119.0°	120.0°
CAA	CAB	OAC	121.0°	120.0°
CAB	CAA	H20	109.5°	109.4°
CAB	CAA	H21	109.5°	109.4°
CAB	CAA	H22	109.5°	109.5°
H111	C11	H113	109.4°	109.5°
H111	C11	H112	109.5°	109.4°
H113	C11	H112	109.5°	109.5°
H32	C3	H31	109.5°	109.6°
H92	C9	H91	109.5°	109.5°
H20	CAA	H21	109.5°	109.5°
H20	CAA	H22	109.5°	109.5°
H21	CAA	H22	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	C1	O1B	C2	179.8°	180.0°
O1A	C1	C2	C3	36.2°	125.0°
O1A	C1	C2	O2	83.8°	5.0°
O1A	C1	C2	O6	157.1°	115.1°
O1A	C1	O1B	HO1B	0.0°	0.0°
O4	C4	C3	C5	120.0°	119.8°
O4	C4	C3	H4	120.7°	120.3°
O4	C4	C5	H4	120.8°	120.3°
O4	C4	C3	C2	175.9°	176.8°
O4	C4	C5	N5	63.4°	63.3°
O4	C4	C5	C6	176.5°	176.8°
O4	C4	C5	H5	57.0°	56.9°
O4	C4	C3	H32	64.0°	63.3°
O4	C4	C3	H31	55.9°	56.9°
O1B	C1	C2	C3	144.0°	55.0°
O1B	C1	C2	O2	96.0°	175.0°
O1B	C1	C2	O6	23.1°	65.0°
C1	C2	C3	C4	63.4°	62.4°
C1	C2	C3	O2	119.9°	120.0°
C1	C2	C3	O6	121.0°	120.0°
C1	C2	O2	O6	120.0°	120.0°
C1	C2	O6	C6	59.6°	58.9°
C1	C2	C3	H32	56.6°	57.5°
C1	C2	C3	H31	176.5°	177.7°
C2	C1	O1B	HO1B	179.8°	180.0°
C1	C2	O2	HO2	180.0°	60.0°
C3	C4	C5	H4	119.2°	119.9°
C4	C3	C2	H32	120.1°	119.9°
C4	C3	C2	H31	120.1°	119.9°
C4	C3	C2	O2	176.6°	177.6°
C4	C3	C2	O6	57.6°	57.6°
C3	C4	C5	N5	176.6°	176.9°
C3	C4	C5	C6	56.6°	57.0°
C3	C4	C5	H5	62.9°	63.0°
C3	C4	O4	HO4	180.0°	60.0°
C4	C3	H32	H31	119.9°	120.1°
C5	C4	C3	C2	55.9°	57.0°
C4	C5	N5	C6	119.9°	119.6°
C4	C5	N5	H5	120.1°	120.1°
C4	C5	N5	C10	136.7°	85.4°
C4	C5	C6	H5	119.5°	119.9°
C4	C5	C6	O6	59.3°	57.6°
C4	C5	C6	C7	179.4°	177.6°
C4	C5	N5	HN5	43.3°	94.7°
C5	C4	O4	HO4	60.1°	179.6°
C5	C4	C3	H32	176.0°	176.9°
C5	C4	C3	H31	64.1°	62.9°
C4	C5	C6	H6	59.2°	62.3°
C3	C2	O2	O6	119.8°	120.0°
C3	C2	O6	C6	61.3°	61.1°
C2	C3	C4	H4	63.3°	62.9°
C2	C3	H32	H31	119.8°	120.1°
C3	C2	O2	HO2	59.8°	180.0°
O2	C2	O6	C6	179.2°	178.9°
O2	C2	C3	H32	63.3°	62.5°
O2	C2	C3	H31	56.6°	57.8°
C2	O6	C6	C5	62.3°	61.2°
C2	O6	C6	C7	172.4°	178.9°
O6	C2	C3	H32	177.7°	177.5°
O6	C2	C3	H31	62.5°	62.3°
O6	C2	O2	HO2	60.0°	60.0°
C2	O6	C6	H6	55.6°	58.8°
C5	N5	C10	HN5	180.0°	179.9°
N5	C5	C6	H5	120.4°	120.2°
C5	N5	C10	C11	180.0°	180.0°
N5	C5	C6	O6	179.4°	177.5°
N5	C5	C6	C7	59.3°	62.5°
C5	N5	C10	O10	0.1°	0.1°
N5	C5	C4	H4	57.3°	57.0°
N5	C5	C6	H6	60.9°	57.5°
C10	N5	C5	C6	103.4°	155.0°
N5	C10	C11	O10	179.9°	180.0°
N5	C10	C11	H111	179.9°	90.0°
N5	C10	C11	H113	60.1°	30.0°
N5	C10	C11	H112	59.9°	150.0°
C10	N5	C5	H5	16.6°	34.8°
C5	C6	O6	C7	125.3°	120.0°
C5	C6	O6	H6	117.9°	120.0°
C5	C6	C7	H6	120.2°	120.0°
C5	C6	C7	C8	128.0°	180.0°
C5	C6	C7	O7	3.4°	60.0°
C6	C5	N5	HN5	76.6°	25.0°
C6	C5	C4	H4	62.7°	62.9°
C5	C6	C7	H7	121.5°	60.0°
C10	C11	H111	H113	120.0°	120.0°
C10	C11	H111	H112	120.0°	120.0°
C10	C11	H113	H112	120.0°	120.0°
C11	C10	N5	HN5	0.0°	0.0°
O6	C6	C7	H6	117.4°	120.0°
O6	C6	C7	C8	109.6°	60.0°
O6	C6	C7	O7	118.9°	179.9°
O6	C6	C5	H5	60.2°	62.3°
O6	C6	C7	H7	0.9°	59.9°
C6	C7	C8	O8	68.0°	60.0°
C6	C7	C8	O7	135.4°	120.1°
C6	C7	C8	H7	110.5°	120.0°
C6	C7	C8	C9	176.2°	180.0°
C6	C7	O7	H7	117.7°	120.0°
C7	C6	C5	H5	61.1°	57.7°
C6	C7	O7	HO7	10.4°	59.9°
C6	C7	C8	H8	53.7°	60.0°
O10	C10	C11	H111	0.0°	90.0°
O10	C10	C11	H113	120.0°	150.0°
O10	C10	C11	H112	120.0°	30.0°
O10	C10	N5	HN5	179.9°	180.0°
O8	C8	C7	C9	115.8°	120.0°
O8	C8	C7	H8	121.7°	120.0°
O8	C8	C9	H8	122.0°	120.0°
O8	C8	C7	O7	156.6°	179.9°
O8	C8	C9	NAD	71.6°	60.0°
O8	C8	C7	H7	42.5°	60.0°
O8	C8	C9	H92	48.4°	60.0°
O8	C8	C9	H91	168.4°	180.0°
C7	C8	C9	H8	122.4°	120.0°
C8	C7	O7	H7	113.6°	120.0°
C7	C8	C9	NAD	172.8°	180.0°
C8	C7	C6	H6	7.8°	60.0°
C8	C7	O7	HO7	118.3°	60.1°
C7	C8	O8	HO8	180.0°	60.0°
C7	C8	C9	H92	67.2°	60.0°
C7	C8	C9	H91	52.8°	60.0°
C9	C8	C7	O7	40.8°	59.9°
C8	C9	NAD	H92	120.0°	120.0°
C8	C9	NAD	H91	120.0°	120.1°
C8	C9	NAD	CAB	179.8°	180.0°
C9	C8	C7	H7	73.3°	60.0°
C9	C8	O8	HO8	62.1°	60.0°
C8	C9	H92	H91	120.0°	120.0°
C8	C9	NAD	H19	0.2°	0.0°
O7	C7	C6	H6	123.6°	60.0°
O7	C7	C8	H8	81.7°	60.0°
C9	NAD	CAB	H19	180.0°	180.0°
C9	NAD	CAB	CAA	179.9°	180.0°
C9	NAD	CAB	OAC	0.1°	0.0°
NAD	C9	C8	H8	50.4°	60.0°
NAD	C9	H92	H91	119.9°	120.0°
NAD	CAB	CAA	OAC	180.0°	180.0°
CAB	NAD	C9	H92	59.7°	60.0°
CAB	NAD	C9	H91	60.2°	59.9°
NAD	CAB	CAA	H20	180.0°	0.0°
NAD	CAB	CAA	H21	60.0°	120.0°
NAD	CAB	CAA	H22	60.0°	120.0°
CAA	CAB	NAD	H19	0.0°	0.0°
CAB	CAA	H20	H21	120.0°	120.0°
CAB	CAA	H20	H22	120.0°	120.0°
CAB	CAA	H21	H22	120.0°	120.0°
OAC	CAB	NAD	H19	180.0°	180.0°
OAC	CAB	CAA	H20	0.0°	180.0°
OAC	CAB	CAA	H21	120.0°	60.0°
OAC	CAB	CAA	H22	120.0°	60.0°
H111	C11	H113	H112	120.0°	120.0°
HN5	N5	C5	H5	163.4°	145.2°
H5	C5	C4	H4	177.8°	177.2°
H5	C5	C6	H6	178.7°	177.7°
H4	C4	O4	HO4	60.0°	60.2°
H4	C4	C3	H32	56.7°	57.0°
H4	C4	C3	H31	176.6°	177.3°
H6	C6	C7	H7	118.3°	179.9°
H7	C7	O7	HO7	128.1°	180.0°
H7	C7	C8	H8	164.2°	180.0°
H8	C8	O8	HO8	59.1°	179.9°
H8	C8	C9	H92	170.4°	180.0°
H8	C8	C9	H91	69.6°	60.0°
H92	C9	NAD	H19	120.2°	120.0°
H91	C9	NAD	H19	119.8°	120.0°
H20	CAA	H21	H22	120.0°	120.1°

Release date:	2016-03-23
Definition date:	2015-10-14
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5E66